NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
2654 | 1ce3 | 4487 | cing | recoord | dress | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -11.203 8.492 3.978 2 2H MET 1 2H MET 1 -11.803 6.903 3.974 3 3H MET 1 3H MET 1 -10.145 7.185 4.212 4 HA MET 1 HA MET 1 -10.301 6.481 2.031 5 1HB MET 1 1HB MET 1 -11.976 7.471 0.436 6 2HB MET 1 2HB MET 1 -12.754 6.689 1.793 7 1HG MET 1 1HG MET 1 -12.987 8.903 2.919 8 2HG MET 1 2HG MET 1 -12.235 9.671 1.551 9 1HE MET 1 1HE MET 1 -15.202 7.236 2.408 10 2HE MET 1 2HE MET 1 -15.399 8.774 3.284 11 3HE MET 1 3HE MET 1 -16.527 8.316 2.022 12 H LYS 2 H LYS 2 -9.135 8.718 3.623 13 HA LYS 2 HA LYS 2 -8.641 10.973 1.921 14 1HB LYS 2 1HB LYS 2 -7.183 9.860 4.353 15 2HB LYS 2 2HB LYS 2 -6.668 11.326 3.549 16 1HG LYS 2 1HG LYS 2 -8.064 11.930 5.445 17 2HG LYS 2 2HG LYS 2 -8.904 12.347 3.967 18 1HD LYS 2 1HD LYS 2 -10.357 10.375 4.168 19 2HD LYS 2 2HD LYS 2 -9.435 9.781 5.540 20 1HE LYS 2 1HE LYS 2 -11.512 10.904 6.281 21 2HE LYS 2 2HE LYS 2 -10.124 11.842 6.813 22 1HZ LYS 2 1HZ LYS 2 -11.535 12.400 4.278 23 2HZ LYS 2 2HZ LYS 2 -11.995 13.102 5.756 24 3HZ LYS 2 3HZ LYS 2 -10.447 13.397 5.119 25 H ALA 3 H ALA 3 -7.997 10.365 -0.063 26 HA ALA 3 HA ALA 3 -6.091 8.469 -0.719 27 1HB ALA 3 1HB ALA 3 -7.740 9.308 -2.338 28 2HB ALA 3 2HB ALA 3 -7.013 10.898 -2.280 29 3HB ALA 3 3HB ALA 3 -6.125 9.550 -2.974 30 H CYS 4 H CYS 4 -4.021 8.589 0.078 31 HA CYS 4 HA CYS 4 -2.587 11.060 0.487 32 1HB CYS 4 1HB CYS 4 -1.871 8.146 0.471 33 2HB CYS 4 2HB CYS 4 -0.594 9.309 0.525 34 H THR 5 H THR 5 -0.193 10.990 -0.558 35 HA THR 5 HA THR 5 -0.435 11.798 -3.217 36 HB THR 5 HB THR 5 2.103 10.818 -1.752 37 HG1 THR 5 HG1 THR 5 0.602 13.231 -1.792 38 1HG2 THR 5 1HG2 THR 5 2.262 11.468 -4.234 39 2HG2 THR 5 2HG2 THR 5 1.599 13.036 -3.798 40 3HG2 THR 5 3HG2 THR 5 3.164 12.536 -3.160 41 H LEU 6 H LEU 6 -0.669 10.730 -4.892 42 HA LEU 6 HA LEU 6 -0.986 7.947 -5.202 43 1HB LEU 6 1HB LEU 6 -0.207 9.939 -7.371 44 2HB LEU 6 2HB LEU 6 -0.993 8.397 -7.636 45 HG LEU 6 HG LEU 6 -2.218 10.711 -6.044 46 1HD1 LEU 6 1HD1 LEU 6 -2.032 11.219 -8.470 47 2HD1 LEU 6 2HD1 LEU 6 -2.829 9.703 -8.860 48 3HD1 LEU 6 3HD1 LEU 6 -3.709 10.967 -8.016 49 1HD2 LEU 6 1HD2 LEU 6 -3.447 8.081 -7.003 50 2HD2 LEU 6 2HD2 LEU 6 -3.069 8.469 -5.333 51 3HD2 LEU 6 3HD2 LEU 6 -4.308 9.370 -6.178 52 H ASN 7 H ASN 7 1.925 9.664 -4.977 53 HA ASN 7 HA ASN 7 3.673 8.301 -6.587 54 1HB ASN 7 1HB ASN 7 4.108 9.574 -3.860 55 2HB ASN 7 2HB ASN 7 5.423 9.077 -4.914 56 1HD2 ASN 7 2HD2 ASN 7 5.682 11.608 -4.483 57 2HD2 ASN 7 1HD2 ASN 7 5.035 12.602 -5.698 58 H CYS 8 H CYS 8 5.499 7.010 -5.760 59 HA CYS 8 HA CYS 8 4.536 4.455 -4.802 60 1HB CYS 8 1HB CYS 8 7.442 4.798 -4.780 61 2HB CYS 8 2HB CYS 8 6.468 3.636 -5.610 62 H ASP 9 H ASP 9 4.467 3.697 -2.801 63 HA ASP 9 HA ASP 9 5.717 5.274 -0.615 64 1HB ASP 9 1HB ASP 9 3.320 4.857 -0.455 65 2HB ASP 9 2HB ASP 9 3.573 3.141 -0.640 66 HA PRO 10 HA PRO 10 9.017 2.439 -0.984 67 1HB PRO 10 1HB PRO 10 10.045 2.653 1.671 68 2HB PRO 10 2HB PRO 10 10.526 3.587 0.264 69 1HG PRO 10 1HG PRO 10 8.808 4.384 2.521 70 2HG PRO 10 2HG PRO 10 9.650 5.399 1.358 71 1HD PRO 10 1HD PRO 10 6.871 4.930 1.399 72 2HD PRO 10 2HD PRO 10 7.776 5.584 0.020 73 H ARG 11 H ARG 11 6.773 2.038 1.550 74 HA ARG 11 HA ARG 11 7.585 -0.681 2.304 75 1HB ARG 11 1HB ARG 11 4.950 0.704 2.936 76 2HB ARG 11 2HB ARG 11 5.682 -0.628 3.794 77 1HG ARG 11 1HG ARG 11 7.459 0.747 4.678 78 2HG ARG 11 2HG ARG 11 7.041 2.095 3.636 79 1HD ARG 11 1HD ARG 11 5.239 0.966 5.810 80 2HD ARG 11 2HD ARG 11 6.165 2.459 5.932 81 HE ARG 11 HE ARG 11 4.850 3.221 3.869 82 1HH1 ARG 11 1HH1 ARG 11 3.520 0.937 6.148 83 2HH1 ARG 11 2HH1 ARG 11 1.894 1.360 5.746 84 1HH2 ARG 11 1HH2 ARG 11 2.806 3.737 3.381 85 2HH2 ARG 11 2HH2 ARG 11 1.481 2.956 4.175 86 H ILE 12 H ILE 12 5.169 0.924 0.373 87 HA ILE 12 HA ILE 12 3.685 -1.460 -0.334 88 HB ILE 12 HB ILE 12 3.738 1.318 -1.572 89 1HG1 ILE 12 1HG1 ILE 12 3.067 0.962 0.962 90 2HG1 ILE 12 2HG1 ILE 12 2.044 1.966 -0.035 91 1HG2 ILE 12 1HG2 ILE 12 1.719 -0.929 -1.933 92 2HG2 ILE 12 2HG2 ILE 12 1.502 0.718 -2.500 93 3HG2 ILE 12 3HG2 ILE 12 2.790 -0.276 -3.156 94 1HD1 ILE 12 1HD1 ILE 12 1.534 -0.944 0.569 95 2HD1 ILE 12 2HD1 ILE 12 0.761 0.436 1.349 96 3HD1 ILE 12 3HD1 ILE 12 0.502 0.150 -0.358 97 H ALA 13 H ALA 13 3.866 -2.741 -1.904 98 HA ALA 13 HA ALA 13 6.036 -2.374 -3.939 99 1HB ALA 13 1HB ALA 13 6.333 -4.290 -2.400 100 2HB ALA 13 2HB ALA 13 4.785 -4.950 -2.885 101 3HB ALA 13 3HB ALA 13 6.087 -4.850 -4.042 102 H TYR 14 H TYR 14 3.083 -4.258 -3.576 103 HA TYR 14 HA TYR 14 1.962 -3.116 -6.073 104 1HB TYR 14 1HB TYR 14 1.257 -5.525 -6.733 105 2HB TYR 14 2HB TYR 14 2.936 -5.164 -6.964 106 HD1 TYR 14 HD1 TYR 14 4.574 -5.837 -5.080 107 HD2 TYR 14 HD2 TYR 14 0.654 -7.417 -5.443 108 HE1 TYR 14 HE1 TYR 14 5.212 -7.724 -3.679 109 HE2 TYR 14 HE2 TYR 14 1.289 -9.312 -4.026 110 HH TYR 14 HH TYR 14 4.461 -10.095 -3.329 111 H GLY 15 H GLY 15 -0.309 -4.150 -6.312 112 1HA GLY 15 1HA GLY 15 -1.631 -4.798 -3.791 113 2HA GLY 15 2HA GLY 15 -2.046 -3.212 -4.429 114 H VAL 16 H VAL 16 -3.725 -5.402 -4.028 115 HA VAL 16 HA VAL 16 -4.643 -5.983 -6.832 116 HB VAL 16 HB VAL 16 -4.744 -7.676 -4.281 117 1HG1 VAL 16 1HG1 VAL 16 -6.233 -8.237 -6.885 118 2HG1 VAL 16 2HG1 VAL 16 -6.099 -9.341 -5.526 119 3HG1 VAL 16 3HG1 VAL 16 -6.995 -7.850 -5.351 120 1HG2 VAL 16 1HG2 VAL 16 -2.701 -7.849 -5.690 121 2HG2 VAL 16 2HG2 VAL 16 -3.611 -9.347 -5.734 122 3HG2 VAL 16 3HG2 VAL 16 -3.689 -8.232 -7.088 123 H CYS 17 H CYS 17 -7.000 -6.143 -6.941 124 HA CYS 17 HA CYS 17 -8.605 -4.836 -4.872 125 1HB CYS 17 1HB CYS 17 -8.382 -3.597 -7.643 126 2HB CYS 17 2HB CYS 17 -9.305 -2.958 -6.326 127 HA PRO 18 HA PRO 18 -11.986 -7.068 -7.063 128 1HB PRO 18 1HB PRO 18 -13.306 -4.483 -7.678 129 2HB PRO 18 2HB PRO 18 -13.917 -5.889 -6.820 130 1HG PRO 18 1HG PRO 18 -13.031 -3.466 -5.647 131 2HG PRO 18 2HG PRO 18 -13.375 -4.961 -4.790 132 1HD PRO 18 1HD PRO 18 -10.795 -3.722 -5.223 133 2HD PRO 18 2HD PRO 18 -11.134 -5.214 -4.337 134 H ARG 19 H ARG 19 -11.325 -7.841 -8.889 135 HA ARG 19 HA ARG 19 -10.714 -8.122 -11.093 136 1HB ARG 19 1HB ARG 19 -12.847 -6.349 -11.115 137 2HB ARG 19 2HB ARG 19 -11.668 -5.410 -12.000 138 1HG ARG 19 1HG ARG 19 -11.281 -7.426 -13.488 139 2HG ARG 19 2HG ARG 19 -12.567 -8.257 -12.630 140 1HD ARG 19 1HD ARG 19 -12.895 -5.628 -14.129 141 2HD ARG 19 2HD ARG 19 -13.396 -7.211 -14.727 142 HE ARG 19 HE ARG 19 -14.592 -6.856 -12.186 143 1HH1 ARG 19 1HH1 ARG 19 -14.673 -5.471 -15.360 144 2HH1 ARG 19 2HH1 ARG 19 -16.322 -4.964 -15.221 145 1HH2 ARG 19 1HH2 ARG 19 -16.681 -6.223 -11.986 146 2HH2 ARG 19 2HH2 ARG 19 -17.478 -5.396 -13.283 147 H SER 20 H SER 20 -8.607 -7.930 -10.166 148 HA SER 20 HA SER 20 -6.866 -6.152 -11.688 149 1HB SER 20 1HB SER 20 -6.882 -6.010 -8.629 150 2HB SER 20 2HB SER 20 -5.693 -5.211 -9.663 151 HG SER 20 HG SER 20 -8.465 -4.760 -9.453 152 H GLU 21 H GLU 21 -5.918 -7.889 -12.513 153 HA GLU 21 HA GLU 21 -5.171 -10.215 -11.053 154 1HB GLU 21 1HB GLU 21 -5.855 -10.096 -13.503 155 2HB GLU 21 2HB GLU 21 -4.314 -9.353 -13.858 156 1HG GLU 21 1HG GLU 21 -4.318 -11.812 -14.334 157 2HG GLU 21 2HG GLU 21 -3.118 -11.439 -13.122 158 H GLU 22 H GLU 22 -2.562 -9.783 -12.987 159 HA GLU 22 HA GLU 22 -0.332 -9.278 -12.773 160 1HB GLU 22 1HB GLU 22 -0.960 -6.960 -12.140 161 2HB GLU 22 2HB GLU 22 -1.258 -7.438 -10.482 162 1HG GLU 22 1HG GLU 22 1.163 -8.121 -10.266 163 2HG GLU 22 2HG GLU 22 1.441 -7.510 -11.881 164 H LYS 23 H LYS 23 1.403 -10.189 -11.763 165 HA LYS 23 HA LYS 23 0.985 -12.340 -9.965 166 1HB LYS 23 1HB LYS 23 2.756 -12.297 -11.632 167 2HB LYS 23 2HB LYS 23 3.466 -10.862 -10.932 168 1HG LYS 23 1HG LYS 23 4.043 -12.124 -8.885 169 2HG LYS 23 2HG LYS 23 3.276 -13.562 -9.548 170 1HD LYS 23 1HD LYS 23 4.885 -13.477 -11.479 171 2HD LYS 23 2HD LYS 23 5.650 -12.067 -10.758 172 1HE LYS 23 1HE LYS 23 6.180 -13.382 -8.741 173 2HE LYS 23 2HE LYS 23 5.403 -14.793 -9.456 174 1HZ LYS 23 1HZ LYS 23 7.011 -14.715 -11.253 175 2HZ LYS 23 2HZ LYS 23 7.759 -13.362 -10.550 176 3HZ LYS 23 3HZ LYS 23 7.788 -14.860 -9.749 177 H LYS 24 H LYS 24 1.918 -12.587 -7.819 178 HA LYS 24 HA LYS 24 1.612 -10.099 -6.227 179 1HB LYS 24 1HB LYS 24 1.900 -12.117 -4.337 180 2HB LYS 24 2HB LYS 24 0.383 -11.568 -4.985 181 1HG LYS 24 1HG LYS 24 0.358 -13.337 -6.679 182 2HG LYS 24 2HG LYS 24 1.946 -13.886 -6.185 183 1HD LYS 24 1HD LYS 24 -0.557 -13.905 -4.436 184 2HD LYS 24 2HD LYS 24 0.113 -15.303 -5.249 185 1HE LYS 24 1HE LYS 24 1.481 -13.707 -3.027 186 2HE LYS 24 2HE LYS 24 0.834 -15.330 -2.913 187 1HZ LYS 24 1HZ LYS 24 2.421 -15.903 -4.764 188 2HZ LYS 24 2HZ LYS 24 3.176 -14.417 -4.443 189 3HZ LYS 24 3HZ LYS 24 3.093 -15.606 -3.233 190 H ASN 25 H ASN 25 3.761 -9.792 -7.499 191 HA ASN 25 HA ASN 25 5.852 -9.471 -5.633 192 1HB ASN 25 1HB ASN 25 5.813 -12.065 -7.091 193 2HB ASN 25 2HB ASN 25 7.316 -11.197 -7.314 194 1HD2 ASN 25 2HD2 ASN 25 5.914 -13.457 -5.355 195 2HD2 ASN 25 1HD2 ASN 25 6.783 -13.182 -3.923 196 H ASP 26 H ASP 26 5.433 -7.509 -6.605 197 HA ASP 26 HA ASP 26 7.219 -6.830 -8.805 198 1HB ASP 26 1HB ASP 26 4.787 -5.608 -9.725 199 2HB ASP 26 2HB ASP 26 5.651 -6.900 -10.515 200 H ARG 27 H ARG 27 8.160 -5.167 -7.658 201 HA ARG 27 HA ARG 27 6.469 -3.544 -5.866 202 1HB ARG 27 1HB ARG 27 8.577 -4.229 -4.971 203 2HB ARG 27 2HB ARG 27 9.449 -3.727 -6.399 204 1HG ARG 27 1HG ARG 27 9.272 -1.398 -5.854 205 2HG ARG 27 2HG ARG 27 7.984 -1.674 -4.699 206 1HD ARG 27 1HD ARG 27 10.850 -2.685 -4.394 207 2HD ARG 27 2HD ARG 27 10.231 -1.236 -3.620 208 HE ARG 27 HE ARG 27 9.655 -4.005 -2.855 209 1HH1 ARG 27 1HH1 ARG 27 8.625 -0.696 -2.691 210 2HH1 ARG 27 2HH1 ARG 27 7.697 -0.943 -1.252 211 1HH2 ARG 27 1HH2 ARG 27 8.482 -4.329 -1.032 212 2HH2 ARG 27 2HH2 ARG 27 7.608 -3.022 -0.303 213 H ILE 28 H ILE 28 5.173 -2.773 -7.696 214 HA ILE 28 HA ILE 28 6.264 -0.942 -9.601 215 HB ILE 28 HB ILE 28 3.362 -1.014 -8.888 216 1HG1 ILE 28 1HG1 ILE 28 3.572 -3.079 -10.825 217 2HG1 ILE 28 2HG1 ILE 28 4.923 -3.419 -9.772 218 1HG2 ILE 28 1HG2 ILE 28 4.798 -0.978 -11.516 219 2HG2 ILE 28 2HG2 ILE 28 3.047 -0.955 -11.300 220 3HG2 ILE 28 3HG2 ILE 28 4.007 0.391 -10.732 221 1HD1 ILE 28 1HD1 ILE 28 3.365 -3.320 -7.825 222 2HD1 ILE 28 2HD1 ILE 28 2.028 -3.037 -8.924 223 3HD1 ILE 28 3HD1 ILE 28 2.906 -4.557 -8.988 224 H CYS 29 H CYS 29 4.874 1.261 -9.607 225 HA CYS 29 HA CYS 29 5.464 2.569 -7.019 226 1HB CYS 29 1HB CYS 29 6.424 3.534 -9.070 227 2HB CYS 29 2HB CYS 29 4.825 3.745 -9.738 228 H THR 30 H THR 30 3.818 2.369 -5.678 229 HA THR 30 HA THR 30 1.322 3.757 -6.211 230 HB THR 30 HB THR 30 0.841 1.539 -7.340 231 HG1 THR 30 HG1 THR 30 -0.454 1.683 -4.833 232 1HG2 THR 30 1HG2 THR 30 2.340 0.080 -5.842 233 2HG2 THR 30 2HG2 THR 30 1.173 0.333 -4.552 234 3HG2 THR 30 3HG2 THR 30 0.698 -0.522 -6.003 235 H ASN 31 H ASN 31 -0.206 3.310 -4.235 236 HA ASN 31 HA ASN 31 1.254 2.831 -1.719 237 1HB ASN 31 1HB ASN 31 1.695 5.204 -2.188 238 2HB ASN 31 2HB ASN 31 0.000 5.497 -2.491 239 1HD2 ASN 31 2HD2 ASN 31 -0.213 7.063 -0.888 240 2HD2 ASN 31 1HD2 ASN 31 -0.086 6.729 0.769 241 H CYS 32 H CYS 32 -0.109 2.593 0.109 242 HA CYS 32 HA CYS 32 -2.732 1.455 -0.514 243 1HB CYS 32 1HB CYS 32 -1.482 0.246 1.122 244 2HB CYS 32 2HB CYS 32 -1.085 1.695 1.999 245 H CYS 33 H CYS 33 -1.612 4.035 1.702 246 HA CYS 33 HA CYS 33 -4.169 4.947 2.488 247 1HB CYS 33 1HB CYS 33 -2.257 5.772 3.658 248 2HB CYS 33 2HB CYS 33 -1.536 6.388 2.191 249 H ALA 34 H ALA 34 -2.543 5.308 -0.488 250 HA ALA 34 HA ALA 34 -4.291 7.498 -1.475 251 1HB ALA 34 1HB ALA 34 -2.151 5.808 -2.902 252 2HB ALA 34 2HB ALA 34 -2.922 7.244 -3.553 253 3HB ALA 34 3HB ALA 34 -1.846 7.375 -2.174 254 H GLY 35 H GLY 35 -3.276 4.331 -2.486 255 1HA GLY 35 1HA GLY 35 -4.340 2.738 -3.856 256 2HA GLY 35 2HA GLY 35 -5.136 2.527 -2.319 257 H THR 36 H THR 36 -6.963 1.766 -3.031 258 HA THR 36 HA THR 36 -8.932 3.605 -4.171 259 HB THR 36 HB THR 36 -8.781 0.896 -5.427 260 HG1 THR 36 HG1 THR 36 -7.315 3.226 -6.159 261 1HG2 THR 36 1HG2 THR 36 -9.517 3.654 -6.562 262 2HG2 THR 36 2HG2 THR 36 -9.708 2.129 -7.410 263 3HG2 THR 36 3HG2 THR 36 -10.705 2.484 -6.017 264 H LYS 37 H LYS 37 -11.063 2.210 -4.313 265 HA LYS 37 HA LYS 37 -11.631 1.307 -1.648 266 1HB LYS 37 1HB LYS 37 -13.495 2.242 -2.579 267 2HB LYS 37 2HB LYS 37 -13.114 1.716 -4.201 268 1HG LYS 37 1HG LYS 37 -13.912 -0.588 -3.668 269 2HG LYS 37 2HG LYS 37 -14.298 -0.079 -2.034 270 1HD LYS 37 1HD LYS 37 -15.525 1.097 -4.570 271 2HD LYS 37 2HD LYS 37 -16.286 -0.125 -3.573 272 1HE LYS 37 1HE LYS 37 -16.273 1.463 -1.632 273 2HE LYS 37 2HE LYS 37 -15.570 2.702 -2.667 274 1HZ LYS 37 1HZ LYS 37 -18.170 1.367 -3.109 275 2HZ LYS 37 2HZ LYS 37 -17.941 2.939 -2.510 276 3HZ LYS 37 3HZ LYS 37 -17.484 2.563 -4.102 277 H GLY 38 H GLY 38 -11.894 -0.610 -0.787 278 1HA GLY 38 1HA GLY 38 -11.694 -2.866 -0.364 279 2HA GLY 38 2HA GLY 38 -12.305 -3.116 -1.981 280 H CYS 39 H CYS 39 -9.308 -1.458 -2.019 281 HA CYS 39 HA CYS 39 -8.018 -3.764 -3.200 282 1HB CYS 39 1HB CYS 39 -7.011 -1.041 -2.457 283 2HB CYS 39 2HB CYS 39 -6.093 -2.197 -3.372 284 H LYS 40 H LYS 40 -5.707 -4.159 -2.606 285 HA LYS 40 HA LYS 40 -5.094 -4.252 0.293 286 1HB LYS 40 1HB LYS 40 -4.703 -6.728 0.134 287 2HB LYS 40 2HB LYS 40 -6.380 -6.276 -0.032 288 1HG LYS 40 1HG LYS 40 -5.609 -6.262 -2.689 289 2HG LYS 40 2HG LYS 40 -4.473 -7.412 -2.042 290 1HD LYS 40 1HD LYS 40 -6.389 -8.651 -2.824 291 2HD LYS 40 2HD LYS 40 -6.370 -8.732 -1.075 292 1HE LYS 40 1HE LYS 40 -8.660 -8.248 -2.008 293 2HE LYS 40 2HE LYS 40 -8.122 -6.968 -0.940 294 1HZ LYS 40 1HZ LYS 40 -7.739 -6.878 -3.872 295 2HZ LYS 40 2HZ LYS 40 -9.114 -6.253 -3.096 296 3HZ LYS 40 3HZ LYS 40 -7.580 -5.609 -2.758 297 H TYR 41 H TYR 41 -3.242 -3.126 0.211 298 HA TYR 41 HA TYR 41 -1.268 -3.690 -1.885 299 1HB TYR 41 1HB TYR 41 -1.640 -1.450 0.090 300 2HB TYR 41 2HB TYR 41 -0.253 -1.617 -0.964 301 HD1 TYR 41 HD1 TYR 41 -3.881 -0.956 -0.863 302 HD2 TYR 41 HD2 TYR 41 -0.454 -1.261 -3.376 303 HE1 TYR 41 HE1 TYR 41 -5.122 0.089 -2.699 304 HE2 TYR 41 HE2 TYR 41 -1.705 -0.220 -5.204 305 HH TYR 41 HH TYR 41 -5.004 0.975 -4.736 306 H PHE 42 H PHE 42 0.392 -4.765 -1.535 307 HA PHE 42 HA PHE 42 1.495 -5.243 1.165 308 1HB PHE 42 1HB PHE 42 2.203 -7.442 -0.506 309 2HB PHE 42 2HB PHE 42 1.079 -7.412 0.825 310 HD1 PHE 42 HD1 PHE 42 1.011 -6.343 -2.775 311 HD2 PHE 42 HD2 PHE 42 -0.967 -8.282 0.447 312 HE1 PHE 42 HE1 PHE 42 -0.896 -6.888 -4.248 313 HE2 PHE 42 HE2 PHE 42 -2.858 -8.824 -1.019 314 HZ PHE 42 HZ PHE 42 -2.812 -8.125 -3.375 315 H SER 43 H SER 43 3.676 -5.784 1.261 316 HA SER 43 HA SER 43 5.406 -4.202 -0.427 317 1HB SER 43 1HB SER 43 6.111 -6.102 1.852 318 2HB SER 43 2HB SER 43 6.990 -4.717 1.234 319 HG SER 43 HG SER 43 5.925 -3.545 2.547 320 H ASP 44 H ASP 44 7.509 -5.412 -0.899 321 HA ASP 44 HA ASP 44 6.818 -7.848 -2.485 322 1HB ASP 44 1HB ASP 44 8.192 -5.537 -3.225 323 2HB ASP 44 2HB ASP 44 9.506 -6.658 -2.931 324 H ASP 45 H ASP 45 8.461 -6.966 0.310 325 HA ASP 45 HA ASP 45 10.371 -9.203 0.280 326 1HB ASP 45 1HB ASP 45 11.012 -8.349 2.519 327 2HB ASP 45 2HB ASP 45 10.947 -7.031 1.364 328 H GLY 46 H GLY 46 7.204 -9.302 0.442 329 1HA GLY 46 1HA GLY 46 5.756 -10.918 1.102 330 2HA GLY 46 2HA GLY 46 7.080 -11.745 1.935 331 H THR 47 H THR 47 5.399 -8.627 2.198 332 HA THR 47 HA THR 47 4.473 -9.166 4.841 333 HB THR 47 HB THR 47 6.507 -6.973 4.215 334 HG1 THR 47 HG1 THR 47 6.424 -9.301 5.819 335 1HG2 THR 47 1HG2 THR 47 5.119 -7.601 6.900 336 2HG2 THR 47 2HG2 THR 47 6.334 -6.359 6.651 337 3HG2 THR 47 3HG2 THR 47 4.743 -6.182 5.935 338 H PHE 48 H PHE 48 2.425 -8.596 4.649 339 HA PHE 48 HA PHE 48 1.407 -6.816 2.663 340 1HB PHE 48 1HB PHE 48 0.043 -8.613 3.670 341 2HB PHE 48 2HB PHE 48 0.160 -7.854 5.244 342 HD1 PHE 48 HD1 PHE 48 -0.769 -6.665 1.781 343 HD2 PHE 48 HD2 PHE 48 -1.842 -6.849 5.897 344 HE1 PHE 48 HE1 PHE 48 -2.809 -5.403 1.306 345 HE2 PHE 48 HE2 PHE 48 -3.882 -5.580 5.416 346 HZ PHE 48 HZ PHE 48 -4.375 -4.855 3.118 347 H VAL 49 H VAL 49 0.639 -4.701 2.779 348 HA VAL 49 HA VAL 49 1.734 -3.128 5.088 349 HB VAL 49 HB VAL 49 0.807 -2.116 2.336 350 1HG1 VAL 49 1HG1 VAL 49 2.400 -0.802 4.580 351 2HG1 VAL 49 2HG1 VAL 49 2.023 -0.046 3.045 352 3HG1 VAL 49 3HG1 VAL 49 0.734 -0.424 4.173 353 1HG2 VAL 49 1HG2 VAL 49 3.632 -2.629 3.361 354 2HG2 VAL 49 2HG2 VAL 49 2.818 -3.579 2.129 355 3HG2 VAL 49 3HG2 VAL 49 3.224 -1.903 1.817 356 H CYS 50 H CYS 50 -1.039 -2.510 2.825 357 HA CYS 50 HA CYS 50 -2.977 -3.077 4.886 358 1HB CYS 50 1HB CYS 50 -3.768 -0.840 5.357 359 2HB CYS 50 2HB CYS 50 -2.149 -1.037 5.900 360 H GLU 51 H GLU 51 -5.144 -2.014 4.251 361 HA GLU 51 HA GLU 51 -5.487 -2.632 1.389 362 1HB GLU 51 1HB GLU 51 -7.097 -3.836 2.518 363 2HB GLU 51 2HB GLU 51 -7.191 -2.703 3.845 364 1HG GLU 51 1HG GLU 51 -8.742 -1.311 2.750 365 2HG GLU 51 2HG GLU 51 -8.390 -1.909 1.151 366 H GLY 52 H GLY 52 -6.126 -1.329 -0.097 367 1HA GLY 52 1HA GLY 52 -5.759 1.462 0.067 368 2HA GLY 52 2HA GLY 52 -6.577 0.643 -1.254 369 H GLU 53 H GLU 53 -7.490 3.022 -0.681 370 HA GLU 53 HA GLU 53 -10.234 2.555 0.104 371 1HB GLU 53 1HB GLU 53 -10.084 4.316 2.048 372 2HB GLU 53 2HB GLU 53 -9.508 2.705 2.365 373 1HG GLU 53 1HG GLU 53 -7.958 4.535 3.193 374 2HG GLU 53 2HG GLU 53 -7.183 3.361 2.157 375 H SER 54 H SER 54 -8.672 3.708 -2.129 376 HA SER 54 HA SER 54 -8.575 5.630 -3.473 377 1HB SER 54 1HB SER 54 -10.935 6.335 -4.096 378 2HB SER 54 2HB SER 54 -10.842 4.583 -3.914 379 HG SER 54 HG SER 54 -11.681 4.742 -1.887 Start of MODEL 2 1 1H MET 1 1H MET 1 -9.845 10.789 2.569 2 2H MET 1 2H MET 1 -9.774 9.707 3.877 3 3H MET 1 3H MET 1 -8.360 10.103 3.020 4 HA MET 1 HA MET 1 -8.892 8.037 2.224 5 1HB MET 1 1HB MET 1 -11.258 7.447 1.529 6 2HB MET 1 2HB MET 1 -11.167 7.876 3.224 7 1HG MET 1 1HG MET 1 -11.909 10.179 2.664 8 2HG MET 1 2HG MET 1 -11.996 9.754 0.979 9 1HE MET 1 1HE MET 1 -13.780 8.906 -0.207 10 2HE MET 1 2HE MET 1 -13.710 7.262 0.470 11 3HE MET 1 3HE MET 1 -15.229 8.148 0.408 12 H LYS 2 H LYS 2 -8.628 10.906 1.184 13 HA LYS 2 HA LYS 2 -9.475 10.745 -1.607 14 1HB LYS 2 1HB LYS 2 -7.646 12.726 -0.193 15 2HB LYS 2 2HB LYS 2 -8.278 12.923 -1.819 16 1HG LYS 2 1HG LYS 2 -10.604 12.859 -0.923 17 2HG LYS 2 2HG LYS 2 -9.977 12.676 0.707 18 1HD LYS 2 1HD LYS 2 -8.791 14.862 0.494 19 2HD LYS 2 2HD LYS 2 -9.447 15.056 -1.122 20 1HE LYS 2 1HE LYS 2 -11.112 14.810 1.423 21 2HE LYS 2 2HE LYS 2 -10.803 16.304 0.551 22 1HZ LYS 2 1HZ LYS 2 -11.810 15.130 -1.428 23 2HZ LYS 2 2HZ LYS 2 -12.375 13.969 -0.324 24 3HZ LYS 2 3HZ LYS 2 -12.867 15.588 -0.179 25 H ALA 3 H ALA 3 -8.270 10.329 -3.368 26 HA ALA 3 HA ALA 3 -6.142 8.587 -3.237 27 1HB ALA 3 1HB ALA 3 -7.058 10.344 -5.538 28 2HB ALA 3 2HB ALA 3 -5.981 8.965 -5.711 29 3HB ALA 3 3HB ALA 3 -7.632 8.727 -5.164 30 H CYS 4 H CYS 4 -4.396 9.277 -2.117 31 HA CYS 4 HA CYS 4 -3.116 11.813 -2.258 32 1HB CYS 4 1HB CYS 4 -2.484 9.109 -1.198 33 2HB CYS 4 2HB CYS 4 -1.146 10.194 -1.295 34 H THR 5 H THR 5 -0.546 11.418 -2.471 35 HA THR 5 HA THR 5 0.345 12.099 -4.907 36 HB THR 5 HB THR 5 1.846 12.066 -2.960 37 HG1 THR 5 HG1 THR 5 3.645 11.072 -4.009 38 1HG2 THR 5 1HG2 THR 5 1.971 9.044 -3.258 39 2HG2 THR 5 2HG2 THR 5 2.898 10.024 -2.143 40 3HG2 THR 5 3HG2 THR 5 1.163 9.879 -1.949 41 H LEU 6 H LEU 6 -0.541 8.922 -4.166 42 HA LEU 6 HA LEU 6 -0.500 6.924 -5.275 43 1HB LEU 6 1HB LEU 6 -0.826 6.945 -7.737 44 2HB LEU 6 2HB LEU 6 -1.945 7.933 -6.851 45 HG LEU 6 HG LEU 6 -0.657 9.885 -7.445 46 1HD1 LEU 6 1HD1 LEU 6 1.558 8.791 -8.166 47 2HD1 LEU 6 2HD1 LEU 6 0.702 7.978 -9.454 48 3HD1 LEU 6 3HD1 LEU 6 0.889 9.721 -9.484 49 1HD2 LEU 6 1HD2 LEU 6 -1.836 8.253 -9.716 50 2HD2 LEU 6 2HD2 LEU 6 -2.704 9.325 -8.628 51 3HD2 LEU 6 3HD2 LEU 6 -1.570 9.988 -9.790 52 H ASN 7 H ASN 7 2.203 8.766 -4.963 53 HA ASN 7 HA ASN 7 3.891 7.550 -6.867 54 1HB ASN 7 1HB ASN 7 4.404 9.111 -4.307 55 2HB ASN 7 2HB ASN 7 5.727 8.485 -5.272 56 1HD2 ASN 7 2HD2 ASN 7 3.218 9.334 -7.410 57 2HD2 ASN 7 1HD2 ASN 7 3.770 10.890 -7.801 58 H CYS 8 H CYS 8 5.797 6.253 -6.084 59 HA CYS 8 HA CYS 8 4.865 3.846 -4.793 60 1HB CYS 8 1HB CYS 8 7.771 4.076 -4.888 61 2HB CYS 8 2HB CYS 8 6.714 2.907 -5.607 62 H ASP 9 H ASP 9 4.823 3.311 -2.726 63 HA ASP 9 HA ASP 9 6.210 5.055 -0.752 64 1HB ASP 9 1HB ASP 9 3.769 4.655 -0.457 65 2HB ASP 9 2HB ASP 9 4.060 2.940 -0.420 66 HA PRO 10 HA PRO 10 9.428 2.068 -0.739 67 1HB PRO 10 1HB PRO 10 10.215 2.364 2.008 68 2HB PRO 10 2HB PRO 10 10.919 3.141 0.598 69 1HG PRO 10 1HG PRO 10 9.104 4.267 2.610 70 2HG PRO 10 2HG PRO 10 10.093 5.106 1.424 71 1HD PRO 10 1HD PRO 10 7.288 4.830 1.317 72 2HD PRO 10 2HD PRO 10 8.319 5.312 -0.041 73 H ARG 11 H ARG 11 7.098 1.961 1.763 74 HA ARG 11 HA ARG 11 7.616 -0.781 2.628 75 1HB ARG 11 1HB ARG 11 5.101 0.868 3.104 76 2HB ARG 11 2HB ARG 11 5.657 -0.502 4.032 77 1HG ARG 11 1HG ARG 11 7.562 0.699 4.908 78 2HG ARG 11 2HG ARG 11 7.298 2.057 3.832 79 1HD ARG 11 1HD ARG 11 5.348 1.201 6.018 80 2HD ARG 11 2HD ARG 11 6.480 2.536 6.125 81 HE ARG 11 HE ARG 11 5.272 3.710 4.386 82 1HH1 ARG 11 1HH1 ARG 11 3.717 0.785 5.470 83 2HH1 ARG 11 2HH1 ARG 11 2.183 1.263 4.832 84 1HH2 ARG 11 1HH2 ARG 11 3.341 4.292 3.584 85 2HH2 ARG 11 2HH2 ARG 11 1.964 3.255 3.752 86 H ILE 12 H ILE 12 5.475 0.865 0.410 87 HA ILE 12 HA ILE 12 3.926 -1.554 -0.200 88 HB ILE 12 HB ILE 12 3.878 1.160 -1.540 89 1HG1 ILE 12 1HG1 ILE 12 3.381 1.454 0.844 90 2HG1 ILE 12 2HG1 ILE 12 1.934 1.708 -0.111 91 1HG2 ILE 12 1HG2 ILE 12 1.821 -1.093 -1.553 92 2HG2 ILE 12 2HG2 ILE 12 1.563 0.506 -2.230 93 3HG2 ILE 12 3HG2 ILE 12 2.778 -0.551 -2.918 94 1HD1 ILE 12 1HD1 ILE 12 2.664 -0.795 1.404 95 2HD1 ILE 12 2HD1 ILE 12 1.479 0.411 1.895 96 3HD1 ILE 12 3HD1 ILE 12 1.189 -0.573 0.466 97 H ALA 13 H ALA 13 3.884 -2.631 -2.008 98 HA ALA 13 HA ALA 13 6.090 -2.237 -4.004 99 1HB ALA 13 1HB ALA 13 6.346 -4.254 -2.618 100 2HB ALA 13 2HB ALA 13 4.768 -4.840 -3.128 101 3HB ALA 13 3HB ALA 13 6.066 -4.702 -4.292 102 H TYR 14 H TYR 14 2.954 -3.781 -3.525 103 HA TYR 14 HA TYR 14 1.743 -2.408 -5.784 104 1HB TYR 14 1HB TYR 14 1.272 -4.566 -7.072 105 2HB TYR 14 2HB TYR 14 2.959 -4.119 -7.061 106 HD1 TYR 14 HD1 TYR 14 4.564 -5.388 -5.660 107 HD2 TYR 14 HD2 TYR 14 0.483 -6.525 -5.932 108 HE1 TYR 14 HE1 TYR 14 5.120 -7.559 -4.731 109 HE2 TYR 14 HE2 TYR 14 1.020 -8.707 -5.006 110 HH TYR 14 HH TYR 14 3.157 -10.199 -4.901 111 H GLY 15 H GLY 15 -0.461 -3.857 -6.224 112 1HA GLY 15 1HA GLY 15 -1.469 -4.947 -3.724 113 2HA GLY 15 2HA GLY 15 -2.138 -3.367 -4.093 114 H VAL 16 H VAL 16 -3.605 -5.613 -3.674 115 HA VAL 16 HA VAL 16 -4.778 -6.223 -6.377 116 HB VAL 16 HB VAL 16 -4.566 -7.904 -3.846 117 1HG1 VAL 16 1HG1 VAL 16 -6.261 -8.519 -6.290 118 2HG1 VAL 16 2HG1 VAL 16 -5.962 -9.625 -4.962 119 3HG1 VAL 16 3HG1 VAL 16 -6.900 -8.171 -4.693 120 1HG2 VAL 16 1HG2 VAL 16 -2.678 -7.974 -5.468 121 2HG2 VAL 16 2HG2 VAL 16 -3.510 -9.518 -5.427 122 3HG2 VAL 16 3HG2 VAL 16 -3.789 -8.405 -6.755 123 H CYS 17 H CYS 17 -6.527 -5.071 -6.690 124 HA CYS 17 HA CYS 17 -8.349 -4.423 -4.418 125 1HB CYS 17 1HB CYS 17 -7.983 -3.081 -7.094 126 2HB CYS 17 2HB CYS 17 -9.154 -2.578 -5.918 127 HA PRO 18 HA PRO 18 -11.741 -6.753 -6.077 128 1HB PRO 18 1HB PRO 18 -13.579 -4.471 -5.982 129 2HB PRO 18 2HB PRO 18 -13.588 -5.952 -5.039 130 1HG PRO 18 1HG PRO 18 -12.816 -3.381 -4.134 131 2HG PRO 18 2HG PRO 18 -12.616 -4.895 -3.268 132 1HD PRO 18 1HD PRO 18 -10.560 -3.251 -4.507 133 2HD PRO 18 2HD PRO 18 -10.349 -4.708 -3.523 134 H ARG 19 H ARG 19 -12.708 -7.141 -8.000 135 HA ARG 19 HA ARG 19 -12.969 -7.120 -10.296 136 1HB ARG 19 1HB ARG 19 -13.763 -4.355 -9.346 137 2HB ARG 19 2HB ARG 19 -13.560 -4.531 -11.071 138 1HG ARG 19 1HG ARG 19 -15.879 -4.961 -10.499 139 2HG ARG 19 2HG ARG 19 -15.150 -6.447 -11.072 140 1HD ARG 19 1HD ARG 19 -14.857 -7.243 -8.741 141 2HD ARG 19 2HD ARG 19 -15.493 -5.729 -8.113 142 HE ARG 19 HE ARG 19 -17.027 -7.928 -9.278 143 1HH1 ARG 19 1HH1 ARG 19 -16.962 -4.536 -8.551 144 2HH1 ARG 19 2HH1 ARG 19 -18.687 -4.396 -8.530 145 1HH2 ARG 19 1HH2 ARG 19 -19.208 -7.768 -9.260 146 2HH2 ARG 19 2HH2 ARG 19 -19.979 -6.250 -8.940 147 H SER 20 H SER 20 -10.397 -6.718 -9.186 148 HA SER 20 HA SER 20 -8.803 -6.344 -11.538 149 1HB SER 20 1HB SER 20 -7.528 -4.269 -10.670 150 2HB SER 20 2HB SER 20 -9.202 -3.881 -11.075 151 HG SER 20 HG SER 20 -9.536 -4.629 -8.745 152 H GLU 21 H GLU 21 -8.849 -8.434 -10.341 153 HA GLU 21 HA GLU 21 -7.415 -8.738 -7.913 154 1HB GLU 21 1HB GLU 21 -8.436 -10.663 -10.018 155 2HB GLU 21 2HB GLU 21 -7.561 -11.234 -8.612 156 1HG GLU 21 1HG GLU 21 -10.046 -11.296 -8.278 157 2HG GLU 21 2HG GLU 21 -9.238 -10.289 -7.098 158 H GLU 22 H GLU 22 -6.498 -10.647 -10.714 159 HA GLU 22 HA GLU 22 -4.478 -11.059 -11.751 160 1HB GLU 22 1HB GLU 22 -4.599 -8.296 -11.567 161 2HB GLU 22 2HB GLU 22 -3.101 -8.597 -10.727 162 1HG GLU 22 1HG GLU 22 -3.740 -9.696 -13.502 163 2HG GLU 22 2HG GLU 22 -2.867 -8.201 -13.224 164 H LYS 23 H LYS 23 -2.759 -12.228 -11.282 165 HA LYS 23 HA LYS 23 -2.233 -13.083 -8.633 166 1HB LYS 23 1HB LYS 23 -1.872 -14.524 -10.602 167 2HB LYS 23 2HB LYS 23 -0.688 -13.415 -11.242 168 1HG LYS 23 1HG LYS 23 0.640 -15.134 -10.397 169 2HG LYS 23 2HG LYS 23 0.732 -13.972 -9.110 170 1HD LYS 23 1HD LYS 23 -1.094 -16.412 -9.161 171 2HD LYS 23 2HD LYS 23 0.418 -16.303 -8.292 172 1HE LYS 23 1HE LYS 23 -0.613 -14.369 -6.951 173 2HE LYS 23 2HE LYS 23 -2.149 -14.802 -7.705 174 1HZ LYS 23 1HZ LYS 23 -1.962 -17.006 -6.849 175 2HZ LYS 23 2HZ LYS 23 -0.478 -16.631 -6.114 176 3HZ LYS 23 3HZ LYS 23 -1.901 -15.863 -5.593 177 H LYS 24 H LYS 24 -0.808 -10.642 -10.564 178 HA LYS 24 HA LYS 24 0.624 -8.900 -10.118 179 1HB LYS 24 1HB LYS 24 0.872 -9.883 -7.232 180 2HB LYS 24 2HB LYS 24 1.206 -8.287 -7.822 181 1HG LYS 24 1HG LYS 24 -1.513 -9.645 -7.622 182 2HG LYS 24 2HG LYS 24 -0.923 -8.325 -6.652 183 1HD LYS 24 1HD LYS 24 -1.353 -8.092 -9.659 184 2HD LYS 24 2HD LYS 24 -2.542 -7.622 -8.472 185 1HE LYS 24 1HE LYS 24 -1.356 -5.632 -9.154 186 2HE LYS 24 2HE LYS 24 -0.855 -5.990 -7.514 187 1HZ LYS 24 1HZ LYS 24 0.783 -7.199 -9.555 188 2HZ LYS 24 2HZ LYS 24 0.809 -5.505 -9.540 189 3HZ LYS 24 3HZ LYS 24 1.227 -6.370 -8.142 190 H ASN 25 H ASN 25 2.443 -8.998 -11.012 191 HA ASN 25 HA ASN 25 4.679 -10.477 -9.854 192 1HB ASN 25 1HB ASN 25 3.224 -11.229 -12.362 193 2HB ASN 25 2HB ASN 25 4.953 -11.077 -12.613 194 1HD2 ASN 25 2HD2 ASN 25 2.510 -12.773 -10.662 195 2HD2 ASN 25 1HD2 ASN 25 3.515 -14.075 -10.239 196 H ASP 26 H ASP 26 4.206 -7.884 -9.669 197 HA ASP 26 HA ASP 26 6.453 -6.618 -10.867 198 1HB ASP 26 1HB ASP 26 5.241 -6.268 -12.906 199 2HB ASP 26 2HB ASP 26 3.704 -6.110 -12.076 200 H ARG 27 H ARG 27 7.014 -5.146 -9.556 201 HA ARG 27 HA ARG 27 5.327 -4.336 -7.276 202 1HB ARG 27 1HB ARG 27 7.573 -5.018 -6.688 203 2HB ARG 27 2HB ARG 27 8.283 -4.067 -7.969 204 1HG ARG 27 1HG ARG 27 6.757 -2.322 -6.167 205 2HG ARG 27 2HG ARG 27 7.868 -3.289 -5.235 206 1HD ARG 27 1HD ARG 27 8.653 -1.596 -7.656 207 2HD ARG 27 2HD ARG 27 8.893 -1.146 -5.969 208 HE ARG 27 HE ARG 27 10.035 -3.731 -6.455 209 1HH1 ARG 27 1HH1 ARG 27 10.513 -0.359 -7.085 210 2HH1 ARG 27 2HH1 ARG 27 12.233 -0.509 -7.204 211 1HH2 ARG 27 1HH2 ARG 27 12.204 -3.948 -6.600 212 2HH2 ARG 27 2HH2 ARG 27 13.208 -2.574 -6.926 213 H ILE 28 H ILE 28 3.915 -3.068 -8.174 214 HA ILE 28 HA ILE 28 4.229 -1.016 -10.082 215 HB ILE 28 HB ILE 28 2.072 -0.931 -7.997 216 1HG1 ILE 28 1HG1 ILE 28 1.745 -2.785 -10.411 217 2HG1 ILE 28 2HG1 ILE 28 2.428 -3.501 -8.989 218 1HG2 ILE 28 1HG2 ILE 28 2.076 -0.579 -11.000 219 2HG2 ILE 28 2HG2 ILE 28 0.650 -0.436 -9.985 220 3HG2 ILE 28 3HG2 ILE 28 1.941 0.714 -9.821 221 1HD1 ILE 28 1HD1 ILE 28 0.420 -2.751 -7.685 222 2HD1 ILE 28 2HD1 ILE 28 -0.293 -2.162 -9.172 223 3HD1 ILE 28 3HD1 ILE 28 0.047 -3.868 -8.979 224 H CYS 29 H CYS 29 3.335 1.286 -9.232 225 HA CYS 29 HA CYS 29 5.046 2.185 -6.956 226 1HB CYS 29 1HB CYS 29 5.944 2.888 -9.118 227 2HB CYS 29 2HB CYS 29 4.406 3.573 -9.573 228 H THR 30 H THR 30 3.555 2.323 -5.384 229 HA THR 30 HA THR 30 1.621 4.492 -5.496 230 HB THR 30 HB THR 30 0.294 2.723 -6.659 231 HG1 THR 30 HG1 THR 30 -0.478 4.141 -4.809 232 1HG2 THR 30 1HG2 THR 30 1.430 0.691 -5.596 233 2HG2 THR 30 2HG2 THR 30 0.634 1.093 -4.082 234 3HG2 THR 30 3HG2 THR 30 -0.320 0.637 -5.483 235 H ASN 31 H ASN 31 0.342 4.627 -3.498 236 HA ASN 31 HA ASN 31 1.792 3.639 -1.083 237 1HB ASN 31 1HB ASN 31 1.273 5.916 -0.047 238 2HB ASN 31 2HB ASN 31 2.417 6.016 -1.363 239 1HD2 ASN 31 2HD2 ASN 31 -0.109 7.641 -0.189 240 2HD2 ASN 31 1HD2 ASN 31 -0.665 8.297 -1.652 241 H CYS 32 H CYS 32 0.447 4.025 0.913 242 HA CYS 32 HA CYS 32 -1.931 2.495 0.789 243 1HB CYS 32 1HB CYS 32 -0.446 2.815 2.782 244 2HB CYS 32 2HB CYS 32 -1.098 4.415 2.987 245 H CYS 33 H CYS 33 -1.734 5.934 1.685 246 HA CYS 33 HA CYS 33 -4.476 6.496 1.706 247 1HB CYS 33 1HB CYS 33 -3.041 8.052 2.668 248 2HB CYS 33 2HB CYS 33 -2.081 8.212 1.219 249 H ALA 34 H ALA 34 -2.404 6.239 -1.057 250 HA ALA 34 HA ALA 34 -4.169 7.662 -2.888 251 1HB ALA 34 1HB ALA 34 -1.910 5.720 -3.445 252 2HB ALA 34 2HB ALA 34 -2.703 6.733 -4.646 253 3HB ALA 34 3HB ALA 34 -1.791 7.474 -3.344 254 H GLY 35 H GLY 35 -3.681 4.301 -2.044 255 1HA GLY 35 1HA GLY 35 -5.242 3.133 -4.030 256 2HA GLY 35 2HA GLY 35 -4.867 2.382 -2.501 257 H THR 36 H THR 36 -7.119 1.563 -3.212 258 HA THR 36 HA THR 36 -9.243 3.290 -2.073 259 HB THR 36 HB THR 36 -9.931 0.862 -3.707 260 HG1 THR 36 HG1 THR 36 -8.307 2.024 -4.877 261 1HG2 THR 36 1HG2 THR 36 -11.031 3.725 -3.676 262 2HG2 THR 36 2HG2 THR 36 -11.720 2.370 -4.556 263 3HG2 THR 36 3HG2 THR 36 -11.767 2.386 -2.809 264 H LYS 37 H LYS 37 -11.097 1.827 -1.267 265 HA LYS 37 HA LYS 37 -10.025 0.173 0.923 266 1HB LYS 37 1HB LYS 37 -11.744 1.536 1.738 267 2HB LYS 37 2HB LYS 37 -12.614 1.529 0.229 268 1HG LYS 37 1HG LYS 37 -13.976 0.384 1.846 269 2HG LYS 37 2HG LYS 37 -13.419 -0.808 0.701 270 1HD LYS 37 1HD LYS 37 -13.224 -1.729 2.958 271 2HD LYS 37 2HD LYS 37 -11.603 -1.473 2.365 272 1HE LYS 37 1HE LYS 37 -11.451 0.661 3.630 273 2HE LYS 37 2HE LYS 37 -13.078 0.399 4.244 274 1HZ LYS 37 1HZ LYS 37 -12.244 -1.755 5.127 275 2HZ LYS 37 2HZ LYS 37 -10.676 -1.260 4.705 276 3HZ LYS 37 3HZ LYS 37 -11.567 -0.374 5.849 277 H GLY 38 H GLY 38 -10.409 -1.999 1.152 278 1HA GLY 38 1HA GLY 38 -11.327 -4.136 0.588 279 2HA GLY 38 2HA GLY 38 -11.815 -3.498 -0.983 280 H CYS 39 H CYS 39 -9.130 -2.133 -1.127 281 HA CYS 39 HA CYS 39 -7.752 -4.096 -2.654 282 1HB CYS 39 1HB CYS 39 -6.795 -1.468 -1.514 283 2HB CYS 39 2HB CYS 39 -5.970 -2.381 -2.736 284 H LYS 40 H LYS 40 -5.382 -4.446 -2.328 285 HA LYS 40 HA LYS 40 -4.614 -4.929 0.494 286 1HB LYS 40 1HB LYS 40 -4.519 -7.097 -1.672 287 2HB LYS 40 2HB LYS 40 -4.028 -7.268 0.002 288 1HG LYS 40 1HG LYS 40 -6.434 -6.734 0.672 289 2HG LYS 40 2HG LYS 40 -6.857 -6.713 -1.027 290 1HD LYS 40 1HD LYS 40 -7.491 -8.858 -0.367 291 2HD LYS 40 2HD LYS 40 -5.941 -9.126 -1.132 292 1HE LYS 40 1HE LYS 40 -6.293 -8.762 1.867 293 2HE LYS 40 2HE LYS 40 -6.246 -10.332 1.078 294 1HZ LYS 40 1HZ LYS 40 -4.038 -9.350 0.123 295 2HZ LYS 40 2HZ LYS 40 -4.104 -8.416 1.541 296 3HZ LYS 40 3HZ LYS 40 -4.092 -10.111 1.639 297 H TYR 41 H TYR 41 -3.222 -3.185 0.077 298 HA TYR 41 HA TYR 41 -1.214 -3.346 -2.019 299 1HB TYR 41 1HB TYR 41 -1.953 -1.361 0.159 300 2HB TYR 41 2HB TYR 41 -0.458 -1.196 -0.728 301 HD1 TYR 41 HD1 TYR 41 -3.519 -2.486 -2.443 302 HD2 TYR 41 HD2 TYR 41 -1.098 0.939 -1.654 303 HE1 TYR 41 HE1 TYR 41 -4.641 -1.277 -4.224 304 HE2 TYR 41 HE2 TYR 41 -2.245 2.140 -3.447 305 HH TYR 41 HH TYR 41 -5.096 1.221 -4.756 306 H PHE 42 H PHE 42 0.291 -4.855 -1.660 307 HA PHE 42 HA PHE 42 1.514 -5.070 1.039 308 1HB PHE 42 1HB PHE 42 2.309 -7.333 -0.448 309 2HB PHE 42 2HB PHE 42 1.161 -7.236 0.850 310 HD1 PHE 42 HD1 PHE 42 1.145 -6.477 -2.846 311 HD2 PHE 42 HD2 PHE 42 -0.815 -8.175 0.528 312 HE1 PHE 42 HE1 PHE 42 -0.707 -7.261 -4.288 313 HE2 PHE 42 HE2 PHE 42 -2.645 -8.955 -0.915 314 HZ PHE 42 HZ PHE 42 -2.584 -8.496 -3.307 315 H SER 43 H SER 43 3.611 -5.766 1.189 316 HA SER 43 HA SER 43 5.488 -4.149 -0.211 317 1HB SER 43 1HB SER 43 5.924 -6.555 1.626 318 2HB SER 43 2HB SER 43 7.070 -5.292 1.244 319 HG SER 43 HG SER 43 6.080 -3.918 2.467 320 H ASP 44 H ASP 44 7.571 -5.330 -0.803 321 HA ASP 44 HA ASP 44 7.055 -6.795 -3.259 322 1HB ASP 44 1HB ASP 44 9.152 -5.198 -2.324 323 2HB ASP 44 2HB ASP 44 9.874 -6.793 -2.275 324 H ASP 45 H ASP 45 8.110 -7.545 -0.067 325 HA ASP 45 HA ASP 45 8.980 -10.249 -0.489 326 1HB ASP 45 1HB ASP 45 9.646 -8.953 1.500 327 2HB ASP 45 2HB ASP 45 7.973 -8.793 2.000 328 H GLY 46 H GLY 46 5.883 -8.829 -0.509 329 1HA GLY 46 1HA GLY 46 3.859 -9.768 -0.956 330 2HA GLY 46 2HA GLY 46 4.583 -11.391 -0.800 331 H THR 47 H THR 47 3.786 -8.500 1.031 332 HA THR 47 HA THR 47 2.590 -9.976 3.163 333 HB THR 47 HB THR 47 5.041 -8.175 3.546 334 HG1 THR 47 HG1 THR 47 4.473 -10.929 3.822 335 1HG2 THR 47 1HG2 THR 47 3.434 -9.755 5.658 336 2HG2 THR 47 2HG2 THR 47 4.858 -8.779 5.985 337 3HG2 THR 47 3HG2 THR 47 3.357 -8.006 5.507 338 H PHE 48 H PHE 48 0.774 -9.006 3.372 339 HA PHE 48 HA PHE 48 -0.124 -6.619 2.291 340 1HB PHE 48 1HB PHE 48 -1.653 -8.317 3.101 341 2HB PHE 48 2HB PHE 48 -1.105 -8.108 4.753 342 HD1 PHE 48 HD1 PHE 48 -1.593 -5.964 5.956 343 HD2 PHE 48 HD2 PHE 48 -3.330 -6.798 2.154 344 HE1 PHE 48 HE1 PHE 48 -3.242 -4.203 6.337 345 HE2 PHE 48 HE2 PHE 48 -4.993 -5.035 2.552 346 HZ PHE 48 HZ PHE 48 -4.936 -3.723 4.641 347 H VAL 49 H VAL 49 0.407 -4.627 2.575 348 HA VAL 49 HA VAL 49 1.396 -3.662 5.228 349 HB VAL 49 HB VAL 49 1.488 -2.307 2.522 350 1HG1 VAL 49 1HG1 VAL 49 2.910 -1.637 5.145 351 2HG1 VAL 49 2HG1 VAL 49 3.170 -0.808 3.621 352 3HG1 VAL 49 3HG1 VAL 49 1.615 -0.698 4.419 353 1HG2 VAL 49 1HG2 VAL 49 3.669 -3.799 4.019 354 2HG2 VAL 49 2HG2 VAL 49 2.886 -4.329 2.539 355 3HG2 VAL 49 3HG2 VAL 49 3.881 -2.889 2.529 356 H CYS 50 H CYS 50 -0.980 -2.923 2.687 357 HA CYS 50 HA CYS 50 -2.739 -1.608 4.631 358 1HB CYS 50 1HB CYS 50 -1.043 -0.240 2.763 359 2HB CYS 50 2HB CYS 50 -2.700 0.221 2.546 360 H GLU 51 H GLU 51 -4.672 -0.736 3.371 361 HA GLU 51 HA GLU 51 -5.399 -2.517 1.093 362 1HB GLU 51 1HB GLU 51 -6.596 -3.547 2.946 363 2HB GLU 51 2HB GLU 51 -6.836 -2.021 3.763 364 1HG GLU 51 1HG GLU 51 -8.709 -1.445 2.462 365 2HG GLU 51 2HG GLU 51 -8.261 -2.463 1.115 366 H GLY 52 H GLY 52 -4.357 -0.352 0.453 367 1HA GLY 52 1HA GLY 52 -4.536 1.797 -0.456 368 2HA GLY 52 2HA GLY 52 -6.148 1.286 -0.915 369 H GLU 53 H GLU 53 -7.444 2.989 -0.349 370 HA GLU 53 HA GLU 53 -7.910 3.592 2.422 371 1HB GLU 53 1HB GLU 53 -5.675 4.863 1.692 372 2HB GLU 53 2HB GLU 53 -6.776 5.993 0.948 373 1HG GLU 53 1HG GLU 53 -6.262 6.794 3.197 374 2HG GLU 53 2HG GLU 53 -7.929 6.250 3.209 375 H SER 54 H SER 54 -9.401 3.010 -0.038 376 HA SER 54 HA SER 54 -11.388 3.620 -1.094 377 1HB SER 54 1HB SER 54 -12.046 3.631 1.408 378 2HB SER 54 2HB SER 54 -11.848 5.383 1.381 379 HG SER 54 HG SER 54 -13.375 5.524 -0.214 Start of MODEL 3 1 1H MET 1 1H MET 1 -11.950 9.348 -0.169 2 2H MET 1 2H MET 1 -11.058 10.743 0.194 3 3H MET 1 3H MET 1 -12.736 10.723 0.444 4 HA MET 1 HA MET 1 -13.248 10.944 -1.727 5 1HB MET 1 1HB MET 1 -11.669 12.638 -2.732 6 2HB MET 1 2HB MET 1 -12.083 12.988 -1.073 7 1HG MET 1 1HG MET 1 -9.708 13.350 -1.511 8 2HG MET 1 2HG MET 1 -9.949 12.154 -0.280 9 1HE MET 1 1HE MET 1 -9.531 9.752 -0.448 10 2HE MET 1 2HE MET 1 -8.183 9.141 -1.367 11 3HE MET 1 3HE MET 1 -7.913 10.429 -0.193 12 H LYS 2 H LYS 2 -12.164 11.126 -4.075 13 HA LYS 2 HA LYS 2 -11.454 8.431 -4.796 14 1HB LYS 2 1HB LYS 2 -12.943 10.119 -6.035 15 2HB LYS 2 2HB LYS 2 -11.482 10.929 -6.538 16 1HG LYS 2 1HG LYS 2 -12.221 8.042 -7.135 17 2HG LYS 2 2HG LYS 2 -12.331 9.378 -8.260 18 1HD LYS 2 1HD LYS 2 -9.816 9.692 -8.046 19 2HD LYS 2 2HD LYS 2 -9.774 8.221 -7.075 20 1HE LYS 2 1HE LYS 2 -10.805 6.948 -8.865 21 2HE LYS 2 2HE LYS 2 -10.854 8.396 -9.876 22 1HZ LYS 2 1HZ LYS 2 -8.307 7.513 -8.705 23 2HZ LYS 2 2HZ LYS 2 -8.899 6.747 -10.100 24 3HZ LYS 2 3HZ LYS 2 -8.586 8.415 -10.115 25 H ALA 3 H ALA 3 -9.539 7.896 -4.056 26 HA ALA 3 HA ALA 3 -7.267 7.645 -3.819 27 1HB ALA 3 1HB ALA 3 -7.428 7.291 -6.220 28 2HB ALA 3 2HB ALA 3 -7.282 9.014 -6.531 29 3HB ALA 3 3HB ALA 3 -5.927 8.124 -5.857 30 H CYS 4 H CYS 4 -6.046 8.545 -2.433 31 HA CYS 4 HA CYS 4 -5.924 11.285 -1.758 32 1HB CYS 4 1HB CYS 4 -4.485 8.807 -1.051 33 2HB CYS 4 2HB CYS 4 -3.584 10.241 -0.717 34 H THR 5 H THR 5 -3.541 12.178 -1.386 35 HA THR 5 HA THR 5 -2.716 13.574 -3.549 36 HB THR 5 HB THR 5 -1.023 12.657 -1.155 37 HG1 THR 5 HG1 THR 5 -3.051 13.531 -0.641 38 1HG2 THR 5 1HG2 THR 5 -1.034 15.250 -2.789 39 2HG2 THR 5 2HG2 THR 5 0.018 14.884 -1.426 40 3HG2 THR 5 3HG2 THR 5 0.219 14.023 -2.942 41 H LEU 6 H LEU 6 -0.997 13.615 -4.691 42 HA LEU 6 HA LEU 6 -0.391 11.365 -6.312 43 1HB LEU 6 1HB LEU 6 1.389 12.926 -7.325 44 2HB LEU 6 2HB LEU 6 -0.284 13.422 -7.384 45 HG LEU 6 HG LEU 6 0.064 14.797 -5.355 46 1HD1 LEU 6 1HD1 LEU 6 3.025 14.152 -5.740 47 2HD1 LEU 6 2HD1 LEU 6 2.402 15.393 -4.665 48 3HD1 LEU 6 3HD1 LEU 6 2.055 13.715 -4.343 49 1HD2 LEU 6 1HD2 LEU 6 1.891 15.437 -7.713 50 2HD2 LEU 6 2HD2 LEU 6 0.183 15.827 -7.592 51 3HD2 LEU 6 3HD2 LEU 6 1.337 16.613 -6.532 52 H ASN 7 H ASN 7 0.786 11.781 -3.280 53 HA ASN 7 HA ASN 7 3.504 11.310 -3.458 54 1HB ASN 7 1HB ASN 7 1.551 10.502 -1.253 55 2HB ASN 7 2HB ASN 7 3.291 10.611 -1.060 56 1HD2 ASN 7 2HD2 ASN 7 0.954 12.203 0.130 57 2HD2 ASN 7 1HD2 ASN 7 1.387 13.823 -0.134 58 H CYS 8 H CYS 8 4.268 9.145 -2.162 59 HA CYS 8 HA CYS 8 3.048 6.706 -3.416 60 1HB CYS 8 1HB CYS 8 5.836 7.799 -3.726 61 2HB CYS 8 2HB CYS 8 5.586 6.092 -3.750 62 H ASP 9 H ASP 9 3.963 4.788 -2.308 63 HA ASP 9 HA ASP 9 4.846 5.358 0.497 64 1HB ASP 9 1HB ASP 9 2.471 4.818 0.200 65 2HB ASP 9 2HB ASP 9 2.901 3.212 -0.346 66 HA PRO 10 HA PRO 10 8.081 2.682 -1.293 67 1HB PRO 10 1HB PRO 10 9.661 3.160 1.107 68 2HB PRO 10 2HB PRO 10 9.963 3.697 -0.537 69 1HG PRO 10 1HG PRO 10 9.080 5.288 1.655 70 2HG PRO 10 2HG PRO 10 9.256 5.796 -0.018 71 1HD PRO 10 1HD PRO 10 6.797 5.300 1.468 72 2HD PRO 10 2HD PRO 10 6.975 5.962 -0.167 73 H ARG 11 H ARG 11 6.408 2.423 1.668 74 HA ARG 11 HA ARG 11 7.552 -0.124 2.534 75 1HB ARG 11 1HB ARG 11 4.754 0.791 3.290 76 2HB ARG 11 2HB ARG 11 5.876 -0.157 4.217 77 1HG ARG 11 1HG ARG 11 7.323 1.741 4.647 78 2HG ARG 11 2HG ARG 11 6.394 2.772 3.576 79 1HD ARG 11 1HD ARG 11 5.331 1.526 6.150 80 2HD ARG 11 2HD ARG 11 5.769 3.206 5.913 81 HE ARG 11 HE ARG 11 3.907 3.487 4.395 82 1HH1 ARG 11 1HH1 ARG 11 3.997 0.380 5.968 83 2HH1 ARG 11 2HH1 ARG 11 2.333 0.060 5.629 84 1HH2 ARG 11 1HH2 ARG 11 1.809 3.067 3.967 85 2HH2 ARG 11 2HH2 ARG 11 1.086 1.580 4.486 86 H ILE 12 H ILE 12 4.880 1.011 0.608 87 HA ILE 12 HA ILE 12 3.713 -1.632 0.151 88 HB ILE 12 HB ILE 12 3.105 1.134 -0.875 89 1HG1 ILE 12 1HG1 ILE 12 1.577 -0.882 0.838 90 2HG1 ILE 12 2HG1 ILE 12 2.518 0.437 1.498 91 1HG2 ILE 12 1HG2 ILE 12 1.726 -1.489 -1.636 92 2HG2 ILE 12 2HG2 ILE 12 1.128 0.114 -2.048 93 3HG2 ILE 12 3HG2 ILE 12 2.623 -0.462 -2.737 94 1HD1 ILE 12 1HD1 ILE 12 1.080 2.044 0.290 95 2HD1 ILE 12 2HD1 ILE 12 0.111 0.701 -0.315 96 3HD1 ILE 12 3HD1 ILE 12 0.174 1.031 1.410 97 H ALA 13 H ALA 13 3.817 -2.777 -1.663 98 HA ALA 13 HA ALA 13 5.977 -2.154 -3.626 99 1HB ALA 13 1HB ALA 13 6.160 -4.309 -2.399 100 2HB ALA 13 2HB ALA 13 4.602 -4.822 -3.016 101 3HB ALA 13 3HB ALA 13 5.931 -4.602 -4.115 102 H TYR 14 H TYR 14 2.959 -3.896 -3.462 103 HA TYR 14 HA TYR 14 1.696 -2.359 -5.593 104 1HB TYR 14 1HB TYR 14 1.344 -4.590 -6.961 105 2HB TYR 14 2HB TYR 14 2.952 -3.887 -7.009 106 HD1 TYR 14 HD1 TYR 14 0.956 -6.460 -5.164 107 HD2 TYR 14 HD2 TYR 14 4.821 -5.095 -6.306 108 HE1 TYR 14 HE1 TYR 14 1.957 -8.483 -4.232 109 HE2 TYR 14 HE2 TYR 14 5.815 -7.111 -5.384 110 HH TYR 14 HH TYR 14 5.058 -8.822 -3.458 111 H GLY 15 H GLY 15 -0.443 -3.747 -6.158 112 1HA GLY 15 1HA GLY 15 -1.514 -5.067 -3.770 113 2HA GLY 15 2HA GLY 15 -2.235 -3.501 -4.124 114 H VAL 16 H VAL 16 -3.496 -5.980 -4.031 115 HA VAL 16 HA VAL 16 -4.557 -6.173 -6.840 116 HB VAL 16 HB VAL 16 -3.989 -8.449 -4.863 117 1HG1 VAL 16 1HG1 VAL 16 -5.596 -8.616 -7.439 118 2HG1 VAL 16 2HG1 VAL 16 -5.097 -9.983 -6.458 119 3HG1 VAL 16 3HG1 VAL 16 -6.242 -8.820 -5.820 120 1HG2 VAL 16 1HG2 VAL 16 -2.084 -7.801 -6.326 121 2HG2 VAL 16 2HG2 VAL 16 -2.687 -9.395 -6.751 122 3HG2 VAL 16 3HG2 VAL 16 -3.104 -8.012 -7.739 123 H CYS 17 H CYS 17 -6.697 -5.904 -6.927 124 HA CYS 17 HA CYS 17 -8.142 -5.594 -4.350 125 1HB CYS 17 1HB CYS 17 -7.922 -3.852 -6.410 126 2HB CYS 17 2HB CYS 17 -9.361 -4.684 -6.919 127 HA PRO 18 HA PRO 18 -10.255 -9.348 -4.877 128 1HB PRO 18 1HB PRO 18 -12.812 -8.481 -3.872 129 2HB PRO 18 2HB PRO 18 -11.551 -9.363 -3.026 130 1HG PRO 18 1HG PRO 18 -12.288 -6.566 -2.770 131 2HG PRO 18 2HG PRO 18 -11.142 -7.482 -1.804 132 1HD PRO 18 1HD PRO 18 -10.526 -5.479 -3.747 133 2HD PRO 18 2HD PRO 18 -9.376 -6.528 -2.899 134 H ARG 19 H ARG 19 -11.208 -10.365 -6.442 135 HA ARG 19 HA ARG 19 -12.191 -10.789 -8.483 136 1HB ARG 19 1HB ARG 19 -14.222 -9.299 -6.810 137 2HB ARG 19 2HB ARG 19 -14.635 -9.500 -8.493 138 1HG ARG 19 1HG ARG 19 -15.529 -11.365 -7.178 139 2HG ARG 19 2HG ARG 19 -14.348 -11.936 -8.337 140 1HD ARG 19 1HD ARG 19 -14.044 -12.981 -6.054 141 2HD ARG 19 2HD ARG 19 -12.620 -12.098 -6.567 142 HE ARG 19 HE ARG 19 -12.986 -10.556 -4.838 143 1HH1 ARG 19 1HH1 ARG 19 -15.824 -12.479 -5.366 144 2HH1 ARG 19 2HH1 ARG 19 -16.631 -11.871 -3.960 145 1HH2 ARG 19 1HH2 ARG 19 -13.993 -9.777 -3.057 146 2HH2 ARG 19 2HH2 ARG 19 -15.584 -10.319 -2.638 147 H SER 20 H SER 20 -10.390 -8.607 -8.433 148 HA SER 20 HA SER 20 -11.275 -7.194 -10.913 149 1HB SER 20 1HB SER 20 -9.926 -5.882 -8.493 150 2HB SER 20 2HB SER 20 -10.314 -5.051 -10.008 151 HG SER 20 HG SER 20 -12.157 -6.426 -8.347 152 H GLU 21 H GLU 21 -9.963 -9.315 -11.087 153 HA GLU 21 HA GLU 21 -8.010 -10.469 -11.594 154 1HB GLU 21 1HB GLU 21 -7.863 -7.937 -13.306 155 2HB GLU 21 2HB GLU 21 -6.987 -9.413 -13.650 156 1HG GLU 21 1HG GLU 21 -9.007 -9.379 -15.022 157 2HG GLU 21 2HG GLU 21 -9.177 -10.645 -13.825 158 H GLU 22 H GLU 22 -6.127 -7.857 -12.501 159 HA GLU 22 HA GLU 22 -4.077 -7.071 -11.874 160 1HB GLU 22 1HB GLU 22 -5.842 -6.315 -9.915 161 2HB GLU 22 2HB GLU 22 -4.660 -7.141 -8.931 162 1HG GLU 22 1HG GLU 22 -4.127 -4.853 -10.889 163 2HG GLU 22 2HG GLU 22 -4.040 -4.764 -9.140 164 H LYS 23 H LYS 23 -2.295 -8.137 -12.025 165 HA LYS 23 HA LYS 23 -1.808 -10.514 -10.377 166 1HB LYS 23 1HB LYS 23 -1.550 -10.799 -12.824 167 2HB LYS 23 2HB LYS 23 -0.438 -9.453 -12.879 168 1HG LYS 23 1HG LYS 23 0.826 -11.570 -12.941 169 2HG LYS 23 2HG LYS 23 1.194 -10.687 -11.480 170 1HD LYS 23 1HD LYS 23 0.913 -13.060 -10.963 171 2HD LYS 23 2HD LYS 23 -0.349 -12.141 -10.176 172 1HE LYS 23 1HE LYS 23 -1.942 -12.769 -11.995 173 2HE LYS 23 2HE LYS 23 -0.659 -13.656 -12.810 174 1HZ LYS 23 1HZ LYS 23 -1.676 -14.216 -10.086 175 2HZ LYS 23 2HZ LYS 23 -2.077 -15.085 -11.489 176 3HZ LYS 23 3HZ LYS 23 -0.480 -15.098 -10.909 177 H LYS 24 H LYS 24 -0.288 -10.511 -8.857 178 HA LYS 24 HA LYS 24 1.036 -7.985 -8.126 179 1HB LYS 24 1HB LYS 24 2.001 -9.866 -6.307 180 2HB LYS 24 2HB LYS 24 0.539 -8.929 -6.106 181 1HG LYS 24 1HG LYS 24 -0.850 -10.743 -6.958 182 2HG LYS 24 2HG LYS 24 0.566 -11.671 -7.410 183 1HD LYS 24 1HD LYS 24 -0.359 -12.538 -5.307 184 2HD LYS 24 2HD LYS 24 1.230 -11.861 -5.025 185 1HE LYS 24 1HE LYS 24 -0.367 -11.193 -3.243 186 2HE LYS 24 2HE LYS 24 0.192 -9.782 -4.118 187 1HZ LYS 24 1HZ LYS 24 -2.136 -10.932 -5.303 188 2HZ LYS 24 2HZ LYS 24 -2.390 -10.498 -3.680 189 3HZ LYS 24 3HZ LYS 24 -1.847 -9.338 -4.792 190 H ASN 25 H ASN 25 2.404 -7.801 -9.952 191 HA ASN 25 HA ASN 25 4.973 -9.124 -9.625 192 1HB ASN 25 1HB ASN 25 3.049 -9.882 -11.777 193 2HB ASN 25 2HB ASN 25 4.627 -9.479 -12.409 194 1HD2 ASN 25 2HD2 ASN 25 2.835 -11.838 -10.594 195 2HD2 ASN 25 1HD2 ASN 25 4.115 -12.932 -10.372 196 H ASP 26 H ASP 26 3.570 -6.456 -9.753 197 HA ASP 26 HA ASP 26 5.735 -5.020 -11.190 198 1HB ASP 26 1HB ASP 26 4.107 -4.927 -12.931 199 2HB ASP 26 2HB ASP 26 2.764 -4.893 -11.808 200 H ARG 27 H ARG 27 6.586 -4.121 -9.455 201 HA ARG 27 HA ARG 27 5.045 -3.199 -7.185 202 1HB ARG 27 1HB ARG 27 7.153 -4.174 -6.706 203 2HB ARG 27 2HB ARG 27 7.982 -3.236 -7.927 204 1HG ARG 27 1HG ARG 27 8.004 -1.266 -6.597 205 2HG ARG 27 2HG ARG 27 6.698 -1.813 -5.573 206 1HD ARG 27 1HD ARG 27 8.981 -1.889 -4.484 207 2HD ARG 27 2HD ARG 27 8.189 -3.457 -4.510 208 HE ARG 27 HE ARG 27 9.818 -3.100 -6.864 209 1HH1 ARG 27 1HH1 ARG 27 9.960 -3.745 -3.463 210 2HH1 ARG 27 2HH1 ARG 27 11.451 -4.617 -3.574 211 1HH2 ARG 27 1HH2 ARG 27 11.708 -4.202 -7.028 212 2HH2 ARG 27 2HH2 ARG 27 12.456 -4.881 -5.621 213 H ILE 28 H ILE 28 3.718 -1.728 -8.081 214 HA ILE 28 HA ILE 28 4.478 0.621 -9.476 215 HB ILE 28 HB ILE 28 1.986 0.671 -7.826 216 1HG1 ILE 28 1HG1 ILE 28 0.962 -0.744 -9.955 217 2HG1 ILE 28 2HG1 ILE 28 2.553 -1.466 -9.888 218 1HG2 ILE 28 1HG2 ILE 28 2.563 1.218 -10.731 219 2HG2 ILE 28 2HG2 ILE 28 1.017 1.486 -9.931 220 3HG2 ILE 28 3HG2 ILE 28 2.416 2.429 -9.461 221 1HD1 ILE 28 1HD1 ILE 28 2.178 -2.052 -7.516 222 2HD1 ILE 28 2HD1 ILE 28 0.583 -1.344 -7.580 223 3HD1 ILE 28 3HD1 ILE 28 0.952 -2.764 -8.544 224 H CYS 29 H CYS 29 3.745 2.766 -8.470 225 HA CYS 29 HA CYS 29 4.914 3.177 -5.741 226 1HB CYS 29 1HB CYS 29 6.242 3.915 -7.758 227 2HB CYS 29 2HB CYS 29 4.933 4.955 -8.206 228 H THR 30 H THR 30 3.164 3.521 -4.472 229 HA THR 30 HA THR 30 1.242 5.619 -5.085 230 HB THR 30 HB THR 30 0.236 3.765 -6.430 231 HG1 THR 30 HG1 THR 30 -1.729 3.648 -5.232 232 1HG2 THR 30 1HG2 THR 30 0.142 2.200 -3.786 233 2HG2 THR 30 2HG2 THR 30 -0.501 1.670 -5.332 234 3HG2 THR 30 3HG2 THR 30 1.232 1.814 -5.108 235 H ASN 31 H ASN 31 -0.482 5.708 -3.342 236 HA ASN 31 HA ASN 31 0.808 5.280 -0.703 237 1HB ASN 31 1HB ASN 31 -1.576 7.025 -1.406 238 2HB ASN 31 2HB ASN 31 -0.721 7.029 0.118 239 1HD2 ASN 31 2HD2 ASN 31 -1.036 8.885 -2.423 240 2HD2 ASN 31 1HD2 ASN 31 0.529 9.531 -2.505 241 H CYS 32 H CYS 32 -0.653 4.930 1.120 242 HA CYS 32 HA CYS 32 -2.032 2.428 0.887 243 1HB CYS 32 1HB CYS 32 -0.985 3.309 2.993 244 2HB CYS 32 2HB CYS 32 -2.218 4.534 3.083 245 H CYS 33 H CYS 33 -3.116 5.728 1.421 246 HA CYS 33 HA CYS 33 -5.919 5.146 1.137 247 1HB CYS 33 1HB CYS 33 -5.350 6.923 2.532 248 2HB CYS 33 2HB CYS 33 -4.247 7.608 1.374 249 H ALA 34 H ALA 34 -3.432 6.135 -1.096 250 HA ALA 34 HA ALA 34 -5.031 7.228 -3.177 251 1HB ALA 34 1HB ALA 34 -2.497 5.558 -3.402 252 2HB ALA 34 2HB ALA 34 -3.161 6.557 -4.689 253 3HB ALA 34 3HB ALA 34 -2.556 7.307 -3.225 254 H GLY 35 H GLY 35 -4.273 3.970 -2.280 255 1HA GLY 35 1HA GLY 35 -5.213 2.508 -4.432 256 2HA GLY 35 2HA GLY 35 -5.202 1.918 -2.776 257 H THR 36 H THR 36 -7.271 1.223 -4.615 258 HA THR 36 HA THR 36 -9.563 2.931 -3.973 259 HB THR 36 HB THR 36 -10.014 0.260 -5.265 260 HG1 THR 36 HG1 THR 36 -8.555 2.486 -6.281 261 1HG2 THR 36 1HG2 THR 36 -10.818 3.119 -6.030 262 2HG2 THR 36 2HG2 THR 36 -11.431 1.647 -6.764 263 3HG2 THR 36 3HG2 THR 36 -11.847 2.039 -5.108 264 H LYS 37 H LYS 37 -11.606 1.690 -3.367 265 HA LYS 37 HA LYS 37 -11.328 0.712 -0.692 266 1HB LYS 37 1HB LYS 37 -13.363 1.754 -0.963 267 2HB LYS 37 2HB LYS 37 -13.536 1.244 -2.625 268 1HG LYS 37 1HG LYS 37 -14.254 -1.011 -1.903 269 2HG LYS 37 2HG LYS 37 -14.010 -0.566 -0.219 270 1HD LYS 37 1HD LYS 37 -15.735 1.228 -0.468 271 2HD LYS 37 2HD LYS 37 -15.972 0.759 -2.144 272 1HE LYS 37 1HE LYS 37 -16.683 -1.512 -1.415 273 2HE LYS 37 2HE LYS 37 -16.435 -1.052 0.265 274 1HZ LYS 37 1HZ LYS 37 -18.320 0.255 -1.607 275 2HZ LYS 37 2HZ LYS 37 -18.741 -0.867 -0.402 276 3HZ LYS 37 3HZ LYS 37 -18.102 0.646 0.032 277 H GLY 38 H GLY 38 -11.460 -1.223 0.195 278 1HA GLY 38 1HA GLY 38 -11.511 -3.535 0.454 279 2HA GLY 38 2HA GLY 38 -12.174 -3.670 -1.164 280 H CYS 39 H CYS 39 -9.611 -2.038 -1.983 281 HA CYS 39 HA CYS 39 -8.119 -4.308 -2.854 282 1HB CYS 39 1HB CYS 39 -7.247 -1.434 -2.688 283 2HB CYS 39 2HB CYS 39 -6.558 -2.660 -3.708 284 H LYS 40 H LYS 40 -5.970 -4.857 -2.374 285 HA LYS 40 HA LYS 40 -4.991 -4.099 0.353 286 1HB LYS 40 1HB LYS 40 -5.145 -6.891 -0.859 287 2HB LYS 40 2HB LYS 40 -4.289 -6.485 0.620 288 1HG LYS 40 1HG LYS 40 -6.406 -5.661 1.637 289 2HG LYS 40 2HG LYS 40 -7.269 -5.988 0.151 290 1HD LYS 40 1HD LYS 40 -7.750 -7.777 1.696 291 2HD LYS 40 2HD LYS 40 -6.763 -8.426 0.407 292 1HE LYS 40 1HE LYS 40 -5.577 -7.521 3.063 293 2HE LYS 40 2HE LYS 40 -6.122 -9.164 2.779 294 1HZ LYS 40 1HZ LYS 40 -4.524 -8.529 0.636 295 2HZ LYS 40 2HZ LYS 40 -3.710 -7.930 2.002 296 3HZ LYS 40 3HZ LYS 40 -4.156 -9.566 1.928 297 H TYR 41 H TYR 41 -3.115 -3.197 0.227 298 HA TYR 41 HA TYR 41 -1.324 -3.758 -2.033 299 1HB TYR 41 1HB TYR 41 -1.646 -1.444 -0.088 300 2HB TYR 41 2HB TYR 41 -0.296 -1.577 -1.184 301 HD1 TYR 41 HD1 TYR 41 -3.988 -1.305 -1.002 302 HD2 TYR 41 HD2 TYR 41 -0.583 -1.156 -3.560 303 HE1 TYR 41 HE1 TYR 41 -5.378 -0.421 -2.811 304 HE2 TYR 41 HE2 TYR 41 -1.981 -0.272 -5.365 305 HH TYR 41 HH TYR 41 -4.219 1.068 -5.471 306 H PHE 42 H PHE 42 0.298 -5.052 -1.663 307 HA PHE 42 HA PHE 42 1.422 -5.378 1.060 308 1HB PHE 42 1HB PHE 42 2.139 -7.591 -0.641 309 2HB PHE 42 2HB PHE 42 1.119 -7.568 0.776 310 HD1 PHE 42 HD1 PHE 42 0.986 -6.888 -2.883 311 HD2 PHE 42 HD2 PHE 42 -1.099 -7.978 0.641 312 HE1 PHE 42 HE1 PHE 42 -1.032 -7.383 -4.231 313 HE2 PHE 42 HE2 PHE 42 -3.125 -8.474 -0.686 314 HZ PHE 42 HZ PHE 42 -3.084 -8.169 -3.108 315 H SER 43 H SER 43 3.529 -6.189 1.061 316 HA SER 43 HA SER 43 5.357 -4.450 -0.407 317 1HB SER 43 1HB SER 43 5.840 -4.905 1.923 318 2HB SER 43 2HB SER 43 5.913 -6.655 1.661 319 HG SER 43 HG SER 43 7.534 -4.766 0.330 320 H ASP 44 H ASP 44 7.379 -5.594 -0.959 321 HA ASP 44 HA ASP 44 6.886 -7.257 -3.322 322 1HB ASP 44 1HB ASP 44 8.863 -5.420 -2.620 323 2HB ASP 44 2HB ASP 44 9.730 -6.933 -2.456 324 H ASP 45 H ASP 45 7.721 -7.759 -0.086 325 HA ASP 45 HA ASP 45 8.922 -10.396 -0.337 326 1HB ASP 45 1HB ASP 45 7.762 -8.993 2.040 327 2HB ASP 45 2HB ASP 45 8.805 -10.401 2.115 328 H GLY 46 H GLY 46 5.786 -9.277 -0.684 329 1HA GLY 46 1HA GLY 46 3.813 -10.359 -0.984 330 2HA GLY 46 2HA GLY 46 4.648 -11.903 -0.710 331 H THR 47 H THR 47 3.857 -8.948 1.059 332 HA THR 47 HA THR 47 2.462 -10.348 3.118 333 HB THR 47 HB THR 47 5.037 -8.771 3.629 334 HG1 THR 47 HG1 THR 47 5.380 -10.875 3.037 335 1HG2 THR 47 1HG2 THR 47 3.200 -10.201 5.660 336 2HG2 THR 47 2HG2 THR 47 4.693 -9.361 6.053 337 3HG2 THR 47 3HG2 THR 47 3.290 -8.453 5.517 338 H PHE 48 H PHE 48 0.751 -9.202 3.496 339 HA PHE 48 HA PHE 48 -0.012 -6.801 2.370 340 1HB PHE 48 1HB PHE 48 -1.583 -8.331 3.414 341 2HB PHE 48 2HB PHE 48 -0.898 -8.027 5.002 342 HD1 PHE 48 HD1 PHE 48 -2.706 -6.385 2.172 343 HD2 PHE 48 HD2 PHE 48 -1.605 -6.154 6.282 344 HE1 PHE 48 HE1 PHE 48 -4.225 -4.487 2.480 345 HE2 PHE 48 HE2 PHE 48 -3.119 -4.251 6.583 346 HZ PHE 48 HZ PHE 48 -4.428 -3.412 4.691 347 H VAL 49 H VAL 49 0.543 -4.818 2.542 348 HA VAL 49 HA VAL 49 1.977 -3.792 4.945 349 HB VAL 49 HB VAL 49 1.818 -2.755 2.089 350 1HG1 VAL 49 1HG1 VAL 49 3.458 -1.706 4.445 351 2HG1 VAL 49 2HG1 VAL 49 3.578 -1.139 2.788 352 3HG1 VAL 49 3HG1 VAL 49 2.108 -0.865 3.699 353 1HG2 VAL 49 1HG2 VAL 49 3.191 -4.799 2.407 354 2HG2 VAL 49 2HG2 VAL 49 4.200 -3.422 2.013 355 3HG2 VAL 49 3HG2 VAL 49 4.110 -4.005 3.670 356 H CYS 50 H CYS 50 -0.647 -2.840 2.680 357 HA CYS 50 HA CYS 50 -2.110 -1.504 4.823 358 1HB CYS 50 1HB CYS 50 -0.197 -0.029 3.477 359 2HB CYS 50 2HB CYS 50 -1.684 0.291 2.633 360 H GLU 51 H GLU 51 -4.176 -0.687 3.930 361 HA GLU 51 HA GLU 51 -4.965 -2.185 1.459 362 1HB GLU 51 1HB GLU 51 -6.096 -3.342 3.108 363 2HB GLU 51 2HB GLU 51 -6.269 -1.953 4.156 364 1HG GLU 51 1HG GLU 51 -8.236 -1.265 3.162 365 2HG GLU 51 2HG GLU 51 -7.840 -1.851 1.573 366 H GLY 52 H GLY 52 -5.928 -1.212 -0.063 367 1HA GLY 52 1HA GLY 52 -5.982 1.584 -0.401 368 2HA GLY 52 2HA GLY 52 -6.882 0.453 -1.389 369 H GLU 53 H GLU 53 -7.919 2.944 -0.794 370 HA GLU 53 HA GLU 53 -10.473 2.305 0.390 371 1HB GLU 53 1HB GLU 53 -10.248 4.049 2.271 372 2HB GLU 53 2HB GLU 53 -9.319 2.586 2.516 373 1HG GLU 53 1HG GLU 53 -7.291 3.702 1.631 374 2HG GLU 53 2HG GLU 53 -8.189 5.188 1.370 375 H SER 54 H SER 54 -10.124 3.008 -1.981 376 HA SER 54 HA SER 54 -10.971 4.385 -3.650 377 1HB SER 54 1HB SER 54 -12.736 5.122 -2.000 378 2HB SER 54 2HB SER 54 -11.673 6.424 -1.448 379 HG SER 54 HG SER 54 -12.357 7.454 -3.116 Start of MODEL 4 1 1H MET 1 1H MET 1 -9.992 13.356 -6.833 2 2H MET 1 2H MET 1 -10.578 13.467 -8.423 3 3H MET 1 3H MET 1 -11.567 12.834 -7.194 4 HA MET 1 HA MET 1 -10.796 11.022 -8.457 5 1HB MET 1 1HB MET 1 -8.359 12.651 -8.567 6 2HB MET 1 2HB MET 1 -7.950 11.050 -7.990 7 1HG MET 1 1HG MET 1 -9.123 10.051 -9.919 8 2HG MET 1 2HG MET 1 -9.534 11.640 -10.501 9 1HE MET 1 1HE MET 1 -7.430 13.483 -10.792 10 2HE MET 1 2HE MET 1 -6.514 12.980 -12.198 11 3HE MET 1 3HE MET 1 -8.265 12.863 -12.237 12 H LYS 2 H LYS 2 -10.849 9.200 -7.309 13 HA LYS 2 HA LYS 2 -10.489 9.325 -4.398 14 1HB LYS 2 1HB LYS 2 -11.306 7.048 -6.234 15 2HB LYS 2 2HB LYS 2 -11.379 6.973 -4.479 16 1HG LYS 2 1HG LYS 2 -12.919 9.003 -4.547 17 2HG LYS 2 2HG LYS 2 -12.955 8.855 -6.290 18 1HD LYS 2 1HD LYS 2 -13.871 6.695 -4.342 19 2HD LYS 2 2HD LYS 2 -14.935 7.798 -5.184 20 1HE LYS 2 1HE LYS 2 -14.978 5.741 -6.433 21 2HE LYS 2 2HE LYS 2 -14.012 6.856 -7.383 22 1HZ LYS 2 1HZ LYS 2 -12.454 5.363 -5.504 23 2HZ LYS 2 2HZ LYS 2 -13.278 4.374 -6.610 24 3HZ LYS 2 3HZ LYS 2 -12.233 5.586 -7.173 25 H ALA 3 H ALA 3 -8.225 9.779 -4.577 26 HA ALA 3 HA ALA 3 -6.547 7.765 -3.824 27 1HB ALA 3 1HB ALA 3 -6.121 8.497 -6.777 28 2HB ALA 3 2HB ALA 3 -5.012 7.526 -5.824 29 3HB ALA 3 3HB ALA 3 -6.598 6.905 -6.214 30 H CYS 4 H CYS 4 -4.630 8.508 -3.164 31 HA CYS 4 HA CYS 4 -4.292 11.315 -2.705 32 1HB CYS 4 1HB CYS 4 -2.378 9.000 -2.322 33 2HB CYS 4 2HB CYS 4 -2.235 10.565 -1.576 34 H THR 5 H THR 5 -1.610 11.721 -2.922 35 HA THR 5 HA THR 5 -1.258 12.747 -5.514 36 HB THR 5 HB THR 5 0.862 12.193 -3.358 37 HG1 THR 5 HG1 THR 5 -0.952 13.224 -2.541 38 1HG2 THR 5 1HG2 THR 5 0.478 14.501 -5.334 39 2HG2 THR 5 2HG2 THR 5 1.817 14.297 -4.209 40 3HG2 THR 5 3HG2 THR 5 1.664 13.230 -5.596 41 H LEU 6 H LEU 6 -1.230 9.576 -4.798 42 HA LEU 6 HA LEU 6 -0.579 7.660 -5.895 43 1HB LEU 6 1HB LEU 6 0.524 9.481 -8.085 44 2HB LEU 6 2HB LEU 6 0.068 7.802 -8.234 45 HG LEU 6 HG LEU 6 -1.867 10.086 -7.628 46 1HD1 LEU 6 1HD1 LEU 6 -1.484 8.405 -10.135 47 2HD1 LEU 6 2HD1 LEU 6 -2.733 9.616 -9.900 48 3HD1 LEU 6 3HD1 LEU 6 -1.047 10.096 -9.956 49 1HD2 LEU 6 1HD2 LEU 6 -2.429 7.122 -8.111 50 2HD2 LEU 6 2HD2 LEU 6 -2.617 7.952 -6.574 51 3HD2 LEU 6 3HD2 LEU 6 -3.645 8.376 -7.926 52 H ASN 7 H ASN 7 1.464 9.569 -4.400 53 HA ASN 7 HA ASN 7 4.011 9.059 -5.263 54 1HB ASN 7 1HB ASN 7 3.000 9.342 -2.406 55 2HB ASN 7 2HB ASN 7 4.676 9.535 -2.892 56 1HD2 ASN 7 2HD2 ASN 7 3.315 11.651 -1.642 57 2HD2 ASN 7 1HD2 ASN 7 3.083 12.907 -2.760 58 H CYS 8 H CYS 8 5.602 7.691 -4.358 59 HA CYS 8 HA CYS 8 4.628 4.915 -3.923 60 1HB CYS 8 1HB CYS 8 7.500 5.257 -4.337 61 2HB CYS 8 2HB CYS 8 6.372 4.177 -5.093 62 H ASP 9 H ASP 9 4.825 3.904 -2.093 63 HA ASP 9 HA ASP 9 6.363 5.114 0.130 64 1HB ASP 9 1HB ASP 9 4.036 4.585 0.575 65 2HB ASP 9 2HB ASP 9 4.251 2.950 0.014 66 HA PRO 10 HA PRO 10 9.610 2.402 -1.013 67 1HB PRO 10 1HB PRO 10 10.963 2.315 1.491 68 2HB PRO 10 2HB PRO 10 11.242 3.440 0.172 69 1HG PRO 10 1HG PRO 10 9.822 3.878 2.716 70 2HG PRO 10 2HG PRO 10 10.496 5.063 1.606 71 1HD PRO 10 1HD PRO 10 7.750 4.493 1.931 72 2HD PRO 10 2HD PRO 10 8.462 5.381 0.571 73 H ARG 11 H ARG 11 7.536 1.597 1.575 74 HA ARG 11 HA ARG 11 8.503 -1.172 1.821 75 1HB ARG 11 1HB ARG 11 8.054 -0.249 3.881 76 2HB ARG 11 2HB ARG 11 6.749 0.740 3.333 77 1HG ARG 11 1HG ARG 11 5.533 -1.662 3.040 78 2HG ARG 11 2HG ARG 11 6.776 -2.160 4.176 79 1HD ARG 11 1HD ARG 11 4.730 -1.391 5.345 80 2HD ARG 11 2HD ARG 11 6.059 -0.288 5.698 81 HE ARG 11 HE ARG 11 4.460 0.452 3.355 82 1HH1 ARG 11 1HH1 ARG 11 4.808 0.731 6.794 83 2HH1 ARG 11 2HH1 ARG 11 3.905 2.205 6.872 84 1HH2 ARG 11 1HH2 ARG 11 3.324 2.300 3.430 85 2HH2 ARG 11 2HH2 ARG 11 3.045 3.109 4.937 86 H ILE 12 H ILE 12 5.911 0.724 0.403 87 HA ILE 12 HA ILE 12 4.187 -1.548 -0.170 88 HB ILE 12 HB ILE 12 4.287 1.300 -1.223 89 1HG1 ILE 12 1HG1 ILE 12 3.566 0.792 1.214 90 2HG1 ILE 12 2HG1 ILE 12 2.476 1.782 0.275 91 1HG2 ILE 12 1HG2 ILE 12 2.204 -0.818 -1.907 92 2HG2 ILE 12 2HG2 ILE 12 2.039 0.896 -2.247 93 3HG2 ILE 12 3HG2 ILE 12 3.303 -0.036 -3.023 94 1HD1 ILE 12 1HD1 ILE 12 2.187 -1.194 0.747 95 2HD1 ILE 12 2HD1 ILE 12 1.274 0.089 1.541 96 3HD1 ILE 12 3HD1 ILE 12 1.077 -0.186 -0.172 97 H ALA 13 H ALA 13 4.091 -2.779 -1.892 98 HA ALA 13 HA ALA 13 6.163 -2.444 -4.025 99 1HB ALA 13 1HB ALA 13 4.703 -4.961 -3.096 100 2HB ALA 13 2HB ALA 13 5.941 -4.897 -4.333 101 3HB ALA 13 3HB ALA 13 6.345 -4.501 -2.676 102 H TYR 14 H TYR 14 2.967 -3.874 -3.539 103 HA TYR 14 HA TYR 14 1.786 -2.324 -5.719 104 1HB TYR 14 1HB TYR 14 1.215 -4.369 -7.123 105 2HB TYR 14 2HB TYR 14 2.925 -4.022 -7.078 106 HD1 TYR 14 HD1 TYR 14 4.450 -5.421 -5.696 107 HD2 TYR 14 HD2 TYR 14 0.350 -6.426 -6.190 108 HE1 TYR 14 HE1 TYR 14 4.919 -7.687 -4.903 109 HE2 TYR 14 HE2 TYR 14 0.814 -8.698 -5.400 110 HH TYR 14 HH TYR 14 2.932 -10.234 -5.363 111 H GLY 15 H GLY 15 -0.450 -3.575 -6.239 112 1HA GLY 15 1HA GLY 15 -1.623 -4.755 -3.831 113 2HA GLY 15 2HA GLY 15 -2.234 -3.152 -4.226 114 H VAL 16 H VAL 16 -3.676 -5.527 -4.081 115 HA VAL 16 HA VAL 16 -4.712 -5.744 -6.882 116 HB VAL 16 HB VAL 16 -4.663 -8.049 -4.879 117 1HG1 VAL 16 1HG1 VAL 16 -5.134 -7.912 -7.906 118 2HG1 VAL 16 2HG1 VAL 16 -5.169 -9.382 -6.943 119 3HG1 VAL 16 3HG1 VAL 16 -6.398 -8.154 -6.712 120 1HG2 VAL 16 1HG2 VAL 16 -2.321 -7.427 -5.591 121 2HG2 VAL 16 2HG2 VAL 16 -2.806 -8.970 -6.261 122 3HG2 VAL 16 3HG2 VAL 16 -2.818 -7.528 -7.265 123 H CYS 17 H CYS 17 -6.793 -5.520 -7.133 124 HA CYS 17 HA CYS 17 -8.500 -5.108 -4.729 125 1HB CYS 17 1HB CYS 17 -8.869 -4.073 -7.541 126 2HB CYS 17 2HB CYS 17 -9.830 -3.630 -6.160 127 HA PRO 18 HA PRO 18 -11.106 -8.529 -5.752 128 1HB PRO 18 1HB PRO 18 -13.607 -7.120 -5.351 129 2HB PRO 18 2HB PRO 18 -12.817 -8.272 -4.287 130 1HG PRO 18 1HG PRO 18 -12.990 -5.407 -3.988 131 2HG PRO 18 2HG PRO 18 -12.258 -6.565 -2.888 132 1HD PRO 18 1HD PRO 18 -10.905 -4.669 -4.568 133 2HD PRO 18 2HD PRO 18 -10.164 -5.898 -3.531 134 H ARG 19 H ARG 19 -12.167 -9.348 -7.474 135 HA ARG 19 HA ARG 19 -12.759 -9.563 -9.693 136 1HB ARG 19 1HB ARG 19 -14.862 -8.599 -8.758 137 2HB ARG 19 2HB ARG 19 -14.238 -6.979 -8.913 138 1HG ARG 19 1HG ARG 19 -15.922 -7.561 -10.650 139 2HG ARG 19 2HG ARG 19 -14.419 -7.040 -11.351 140 1HD ARG 19 1HD ARG 19 -15.313 -9.065 -12.503 141 2HD ARG 19 2HD ARG 19 -13.798 -9.473 -11.705 142 HE ARG 19 HE ARG 19 -16.029 -9.942 -9.942 143 1HH1 ARG 19 1HH1 ARG 19 -14.382 -11.194 -12.722 144 2HH1 ARG 19 2HH1 ARG 19 -14.866 -12.827 -12.413 145 1HH2 ARG 19 1HH2 ARG 19 -16.653 -12.000 -9.532 146 2HH2 ARG 19 2HH2 ARG 19 -16.171 -13.292 -10.581 147 H SER 20 H SER 20 -10.424 -8.103 -8.939 148 HA SER 20 HA SER 20 -9.556 -7.095 -11.551 149 1HB SER 20 1HB SER 20 -9.533 -5.309 -9.046 150 2HB SER 20 2HB SER 20 -8.738 -4.885 -10.569 151 HG SER 20 HG SER 20 -11.484 -5.353 -10.080 152 H GLU 21 H GLU 21 -8.855 -9.316 -10.650 153 HA GLU 21 HA GLU 21 -6.711 -9.398 -8.782 154 1HB GLU 21 1HB GLU 21 -7.863 -11.398 -10.752 155 2HB GLU 21 2HB GLU 21 -6.508 -11.802 -9.718 156 1HG GLU 21 1HG GLU 21 -8.687 -12.515 -8.717 157 2HG GLU 21 2HG GLU 21 -7.844 -11.366 -7.699 158 H GLU 22 H GLU 22 -6.556 -10.569 -12.101 159 HA GLU 22 HA GLU 22 -4.955 -10.452 -13.764 160 1HB GLU 22 1HB GLU 22 -5.607 -8.100 -13.776 161 2HB GLU 22 2HB GLU 22 -4.583 -7.709 -12.428 162 1HG GLU 22 1HG GLU 22 -3.513 -8.659 -15.105 163 2HG GLU 22 2HG GLU 22 -3.745 -6.971 -14.712 164 H LYS 23 H LYS 23 -2.622 -10.477 -14.203 165 HA LYS 23 HA LYS 23 -1.179 -12.062 -12.349 166 1HB LYS 23 1HB LYS 23 -0.619 -10.685 -14.930 167 2HB LYS 23 2HB LYS 23 0.806 -11.137 -14.009 168 1HG LYS 23 1HG LYS 23 -0.108 -13.480 -13.830 169 2HG LYS 23 2HG LYS 23 -1.428 -13.012 -14.881 170 1HD LYS 23 1HD LYS 23 1.525 -12.906 -15.643 171 2HD LYS 23 2HD LYS 23 0.428 -14.190 -16.090 172 1HE LYS 23 1HE LYS 23 0.567 -12.741 -18.004 173 2HE LYS 23 2HE LYS 23 -1.000 -12.420 -17.281 174 1HZ LYS 23 1HZ LYS 23 1.069 -10.764 -16.210 175 2HZ LYS 23 2HZ LYS 23 0.887 -10.580 -17.887 176 3HZ LYS 23 3HZ LYS 23 -0.442 -10.339 -16.858 177 H LYS 24 H LYS 24 -1.033 -11.101 -10.373 178 HA LYS 24 HA LYS 24 0.041 -8.440 -9.933 179 1HB LYS 24 1HB LYS 24 0.269 -9.675 -7.458 180 2HB LYS 24 2HB LYS 24 -1.146 -8.869 -8.050 181 1HG LYS 24 1HG LYS 24 -1.913 -10.902 -7.146 182 2HG LYS 24 2HG LYS 24 -2.033 -11.119 -8.864 183 1HD LYS 24 1HD LYS 24 0.384 -12.082 -7.264 184 2HD LYS 24 2HD LYS 24 -1.056 -13.057 -7.406 185 1HE LYS 24 1HE LYS 24 0.697 -12.186 -9.757 186 2HE LYS 24 2HE LYS 24 0.621 -13.772 -9.034 187 1HZ LYS 24 1HZ LYS 24 -1.677 -12.403 -10.297 188 2HZ LYS 24 2HZ LYS 24 -0.723 -13.604 -11.022 189 3HZ LYS 24 3HZ LYS 24 -1.661 -13.975 -9.656 190 H ASN 25 H ASN 25 1.922 -8.651 -11.186 191 HA ASN 25 HA ASN 25 4.232 -9.574 -9.654 192 1HB ASN 25 1HB ASN 25 3.187 -10.875 -12.132 193 2HB ASN 25 2HB ASN 25 4.884 -10.459 -12.270 194 1HD2 ASN 25 2HD2 ASN 25 6.403 -11.483 -10.812 195 2HD2 ASN 25 1HD2 ASN 25 5.968 -12.850 -9.904 196 H ASP 26 H ASP 26 3.271 -7.098 -9.981 197 HA ASP 26 HA ASP 26 5.437 -5.743 -11.465 198 1HB ASP 26 1HB ASP 26 2.746 -5.903 -12.476 199 2HB ASP 26 2HB ASP 26 2.916 -4.273 -11.861 200 H ARG 27 H ARG 27 6.381 -4.861 -9.795 201 HA ARG 27 HA ARG 27 4.924 -3.830 -7.480 202 1HB ARG 27 1HB ARG 27 6.967 -4.976 -7.018 203 2HB ARG 27 2HB ARG 27 7.850 -4.100 -8.243 204 1HG ARG 27 1HG ARG 27 6.759 -2.227 -6.256 205 2HG ARG 27 2HG ARG 27 7.677 -3.482 -5.463 206 1HD ARG 27 1HD ARG 27 9.642 -2.982 -6.826 207 2HD ARG 27 2HD ARG 27 8.771 -1.784 -7.765 208 HE ARG 27 HE ARG 27 9.696 -1.513 -4.977 209 1HH1 ARG 27 1HH1 ARG 27 7.724 -0.251 -7.543 210 2HH1 ARG 27 2HH1 ARG 27 7.635 1.326 -6.841 211 1HH2 ARG 27 1HH2 ARG 27 9.583 0.476 -4.080 212 2HH2 ARG 27 2HH2 ARG 27 8.695 1.745 -4.857 213 H ILE 28 H ILE 28 3.701 -2.237 -8.505 214 HA ILE 28 HA ILE 28 4.707 -0.105 -10.058 215 HB ILE 28 HB ILE 28 2.393 0.480 -8.286 216 1HG1 ILE 28 1HG1 ILE 28 0.998 -0.914 -10.226 217 2HG1 ILE 28 2HG1 ILE 28 2.442 -1.900 -10.197 218 1HG2 ILE 28 1HG2 ILE 28 2.826 0.712 -11.234 219 2HG2 ILE 28 2HG2 ILE 28 1.398 1.265 -10.359 220 3HG2 ILE 28 3HG2 ILE 28 2.955 2.004 -10.036 221 1HD1 ILE 28 1HD1 ILE 28 2.151 -2.177 -7.745 222 2HD1 ILE 28 2HD1 ILE 28 0.688 -1.220 -7.811 223 3HD1 ILE 28 3HD1 ILE 28 0.756 -2.770 -8.634 224 H CYS 29 H CYS 29 4.481 2.179 -9.272 225 HA CYS 29 HA CYS 29 6.026 2.551 -6.737 226 1HB CYS 29 1HB CYS 29 6.765 3.323 -9.153 227 2HB CYS 29 2HB CYS 29 5.650 4.632 -8.916 228 H THR 30 H THR 30 3.986 2.193 -5.649 229 HA THR 30 HA THR 30 2.375 4.693 -5.406 230 HB THR 30 HB THR 30 1.077 3.037 -6.794 231 HG1 THR 30 HG1 THR 30 0.102 3.203 -4.138 232 1HG2 THR 30 1HG2 THR 30 2.026 0.901 -5.719 233 2HG2 THR 30 2HG2 THR 30 1.144 1.303 -4.255 234 3HG2 THR 30 3HG2 THR 30 0.272 0.945 -5.733 235 H ASN 31 H ASN 31 1.010 4.604 -3.408 236 HA ASN 31 HA ASN 31 2.393 3.272 -1.132 237 1HB ASN 31 1HB ASN 31 2.125 5.387 0.182 238 2HB ASN 31 2HB ASN 31 3.164 5.616 -1.213 239 1HD2 ASN 31 2HD2 ASN 31 2.002 7.832 -0.021 240 2HD2 ASN 31 1HD2 ASN 31 0.809 8.478 -1.043 241 H CYS 32 H CYS 32 1.085 3.177 0.824 242 HA CYS 32 HA CYS 32 -1.441 2.009 0.429 243 1HB CYS 32 1HB CYS 32 -0.334 1.563 2.488 244 2HB CYS 32 2HB CYS 32 -0.139 3.257 2.857 245 H CYS 33 H CYS 33 -0.617 5.358 0.937 246 HA CYS 33 HA CYS 33 -3.206 6.390 1.563 247 1HB CYS 33 1HB CYS 33 -1.002 7.613 1.735 248 2HB CYS 33 2HB CYS 33 -1.005 7.769 0.002 249 H ALA 34 H ALA 34 -1.452 6.317 -1.505 250 HA ALA 34 HA ALA 34 -3.572 7.159 -3.193 251 1HB ALA 34 1HB ALA 34 -1.206 5.374 -3.854 252 2HB ALA 34 2HB ALA 34 -2.209 6.204 -5.034 253 3HB ALA 34 3HB ALA 34 -1.226 7.133 -3.914 254 H GLY 35 H GLY 35 -2.863 4.112 -1.782 255 1HA GLY 35 1HA GLY 35 -4.112 2.312 -3.430 256 2HA GLY 35 2HA GLY 35 -4.040 2.127 -1.684 257 H THR 36 H THR 36 -6.234 1.363 -3.425 258 HA THR 36 HA THR 36 -8.352 3.305 -2.763 259 HB THR 36 HB THR 36 -9.014 0.805 -4.277 260 HG1 THR 36 HG1 THR 36 -6.984 1.536 -5.120 261 1HG2 THR 36 1HG2 THR 36 -9.569 3.766 -4.831 262 2HG2 THR 36 2HG2 THR 36 -10.279 2.405 -5.683 263 3HG2 THR 36 3HG2 THR 36 -10.697 2.697 -4.009 264 H LYS 37 H LYS 37 -10.501 2.173 -2.268 265 HA LYS 37 HA LYS 37 -10.150 0.672 0.232 266 1HB LYS 37 1HB LYS 37 -11.814 2.258 0.546 267 2HB LYS 37 2HB LYS 37 -12.303 2.254 -1.127 268 1HG LYS 37 1HG LYS 37 -13.001 -0.087 0.670 269 2HG LYS 37 2HG LYS 37 -13.958 1.374 0.693 270 1HD LYS 37 1HD LYS 37 -14.489 1.175 -1.680 271 2HD LYS 37 2HD LYS 37 -13.444 -0.209 -1.879 272 1HE LYS 37 1HE LYS 37 -15.887 -0.123 -0.068 273 2HE LYS 37 2HE LYS 37 -15.800 -0.913 -1.637 274 1HZ LYS 37 1HZ LYS 37 -13.669 -1.924 -0.311 275 2HZ LYS 37 2HZ LYS 37 -14.845 -1.800 0.907 276 3HZ LYS 37 3HZ LYS 37 -15.174 -2.687 -0.504 277 H GLY 38 H GLY 38 -11.070 -1.366 0.633 278 1HA GLY 38 1HA GLY 38 -11.888 -3.517 0.132 279 2HA GLY 38 2HA GLY 38 -12.245 -2.983 -1.505 280 H CYS 39 H CYS 39 -9.496 -1.977 -1.843 281 HA CYS 39 HA CYS 39 -8.256 -4.335 -2.938 282 1HB CYS 39 1HB CYS 39 -7.193 -1.559 -2.501 283 2HB CYS 39 2HB CYS 39 -6.523 -2.724 -3.612 284 H LYS 40 H LYS 40 -5.860 -4.578 -2.575 285 HA LYS 40 HA LYS 40 -5.078 -4.440 0.296 286 1HB LYS 40 1HB LYS 40 -5.073 -6.974 -1.391 287 2HB LYS 40 2HB LYS 40 -4.278 -6.815 0.165 288 1HG LYS 40 1HG LYS 40 -6.503 -6.239 1.205 289 2HG LYS 40 2HG LYS 40 -7.269 -6.465 -0.356 290 1HD LYS 40 1HD LYS 40 -7.574 -8.497 0.932 291 2HD LYS 40 2HD LYS 40 -6.472 -8.842 -0.385 292 1HE LYS 40 1HE LYS 40 -4.532 -8.651 1.167 293 2HE LYS 40 2HE LYS 40 -5.619 -8.231 2.484 294 1HZ LYS 40 1HZ LYS 40 -6.689 -10.376 2.220 295 2HZ LYS 40 2HZ LYS 40 -5.619 -10.770 0.961 296 3HZ LYS 40 3HZ LYS 40 -5.029 -10.545 2.539 297 H TYR 41 H TYR 41 -3.322 -3.229 0.195 298 HA TYR 41 HA TYR 41 -1.352 -3.580 -1.944 299 1HB TYR 41 1HB TYR 41 -1.883 -1.394 0.106 300 2HB TYR 41 2HB TYR 41 -0.506 -1.399 -0.972 301 HD1 TYR 41 HD1 TYR 41 -4.190 -1.258 -0.823 302 HD2 TYR 41 HD2 TYR 41 -0.786 -0.940 -3.360 303 HE1 TYR 41 HE1 TYR 41 -5.596 -0.347 -2.604 304 HE2 TYR 41 HE2 TYR 41 -2.202 -0.036 -5.143 305 HH TYR 41 HH TYR 41 -5.357 1.058 -4.610 306 H PHE 42 H PHE 42 0.298 -4.726 -1.582 307 HA PHE 42 HA PHE 42 1.443 -5.106 1.119 308 1HB PHE 42 1HB PHE 42 2.151 -7.381 -0.406 309 2HB PHE 42 2HB PHE 42 0.941 -7.285 0.844 310 HD1 PHE 42 HD1 PHE 42 1.145 -6.407 -2.820 311 HD2 PHE 42 HD2 PHE 42 -1.108 -8.087 0.383 312 HE1 PHE 42 HE1 PHE 42 -0.682 -6.965 -4.366 313 HE2 PHE 42 HE2 PHE 42 -2.922 -8.643 -1.169 314 HZ PHE 42 HZ PHE 42 -2.711 -8.082 -3.545 315 H SER 43 H SER 43 3.578 -5.691 1.250 316 HA SER 43 HA SER 43 5.373 -4.112 -0.342 317 1HB SER 43 1HB SER 43 5.890 -6.093 1.921 318 2HB SER 43 2HB SER 43 6.939 -4.819 1.334 319 HG SER 43 HG SER 43 5.938 -3.540 2.605 320 H ASP 44 H ASP 44 7.538 -5.260 -0.641 321 HA ASP 44 HA ASP 44 7.095 -7.453 -2.595 322 1HB ASP 44 1HB ASP 44 8.607 -5.121 -2.755 323 2HB ASP 44 2HB ASP 44 9.839 -6.308 -2.376 324 H ASP 45 H ASP 45 8.725 -6.747 0.376 325 HA ASP 45 HA ASP 45 10.362 -9.145 0.440 326 1HB ASP 45 1HB ASP 45 10.868 -8.429 2.758 327 2HB ASP 45 2HB ASP 45 10.963 -7.060 1.667 328 H GLY 46 H GLY 46 7.119 -8.931 0.532 329 1HA GLY 46 1HA GLY 46 5.555 -10.511 0.990 330 2HA GLY 46 2HA GLY 46 6.786 -11.494 1.801 331 H THR 47 H THR 47 5.167 -8.368 2.176 332 HA THR 47 HA THR 47 4.249 -8.984 4.804 333 HB THR 47 HB THR 47 6.301 -6.791 4.234 334 HG1 THR 47 HG1 THR 47 7.130 -8.803 4.698 335 1HG2 THR 47 1HG2 THR 47 4.841 -7.389 6.888 336 2HG2 THR 47 2HG2 THR 47 6.080 -6.165 6.659 337 3HG2 THR 47 3HG2 THR 47 4.505 -5.968 5.911 338 H PHE 48 H PHE 48 2.204 -8.494 4.553 339 HA PHE 48 HA PHE 48 1.167 -6.634 2.659 340 1HB PHE 48 1HB PHE 48 -0.186 -8.505 3.474 341 2HB PHE 48 2HB PHE 48 -0.066 -7.924 5.127 342 HD1 PHE 48 HD1 PHE 48 -1.009 -6.420 1.795 343 HD2 PHE 48 HD2 PHE 48 -2.018 -6.937 5.903 344 HE1 PHE 48 HE1 PHE 48 -3.019 -5.066 1.478 345 HE2 PHE 48 HE2 PHE 48 -4.022 -5.585 5.580 346 HZ PHE 48 HZ PHE 48 -4.526 -4.637 3.360 347 H VAL 49 H VAL 49 0.548 -4.527 2.790 348 HA VAL 49 HA VAL 49 1.403 -3.104 5.280 349 HB VAL 49 HB VAL 49 0.898 -1.957 2.517 350 1HG1 VAL 49 1HG1 VAL 49 2.234 -0.794 5.009 351 2HG1 VAL 49 2HG1 VAL 49 2.147 0.014 3.456 352 3HG1 VAL 49 3HG1 VAL 49 0.681 -0.290 4.366 353 1HG2 VAL 49 1HG2 VAL 49 3.505 -2.733 3.901 354 2HG2 VAL 49 2HG2 VAL 49 2.811 -3.537 2.505 355 3HG2 VAL 49 3HG2 VAL 49 3.398 -1.891 2.364 356 H CYS 50 H CYS 50 -1.245 -2.592 2.823 357 HA CYS 50 HA CYS 50 -3.195 -2.462 4.992 358 1HB CYS 50 1HB CYS 50 -3.557 -0.187 5.182 359 2HB CYS 50 2HB CYS 50 -1.864 -0.112 4.791 360 H GLU 51 H GLU 51 -5.374 -1.756 4.171 361 HA GLU 51 HA GLU 51 -5.699 -2.913 1.453 362 1HB GLU 51 1HB GLU 51 -8.323 -2.384 2.516 363 2HB GLU 51 2HB GLU 51 -7.519 -3.919 2.476 364 1HG GLU 51 1HG GLU 51 -7.158 -1.975 4.787 365 2HG GLU 51 2HG GLU 51 -8.431 -3.172 4.738 366 H GLY 52 H GLY 52 -4.523 -0.694 1.217 367 1HA GLY 52 1HA GLY 52 -4.511 1.492 0.394 368 2HA GLY 52 2HA GLY 52 -5.885 0.945 -0.549 369 H GLU 53 H GLU 53 -7.119 2.799 -0.418 370 HA GLU 53 HA GLU 53 -8.916 3.302 1.628 371 1HB GLU 53 1HB GLU 53 -7.967 5.437 2.648 372 2HB GLU 53 2HB GLU 53 -7.130 4.000 3.155 373 1HG GLU 53 1HG GLU 53 -5.478 4.533 1.159 374 2HG GLU 53 2HG GLU 53 -6.236 6.110 1.147 375 H SER 54 H SER 54 -9.494 3.316 -0.830 376 HA SER 54 HA SER 54 -10.218 4.437 -2.742 377 1HB SER 54 1HB SER 54 -11.860 6.262 -2.115 378 2HB SER 54 2HB SER 54 -12.006 4.855 -1.061 379 HG SER 54 HG SER 54 -10.775 5.885 0.469 Start of MODEL 5 1 1H MET 1 1H MET 1 -1.199 14.793 -0.709 2 2H MET 1 2H MET 1 -0.237 16.053 -1.320 3 3H MET 1 3H MET 1 -1.238 16.323 0.025 4 HA MET 1 HA MET 1 -2.531 17.247 -1.558 5 1HB MET 1 1HB MET 1 -2.571 16.512 -3.914 6 2HB MET 1 2HB MET 1 -0.911 16.723 -3.405 7 1HG MET 1 1HG MET 1 -2.393 14.080 -3.589 8 2HG MET 1 2HG MET 1 -1.208 14.658 -4.715 9 1HE MET 1 1HE MET 1 1.295 15.373 -3.755 10 2HE MET 1 2HE MET 1 2.125 13.902 -3.293 11 3HE MET 1 3HE MET 1 1.148 13.905 -4.751 12 H LYS 2 H LYS 2 -4.530 16.452 -2.829 13 HA LYS 2 HA LYS 2 -6.014 14.668 -1.085 14 1HB LYS 2 1HB LYS 2 -7.027 16.683 -2.225 15 2HB LYS 2 2HB LYS 2 -6.763 15.927 -3.773 16 1HG LYS 2 1HG LYS 2 -9.103 15.609 -3.108 17 2HG LYS 2 2HG LYS 2 -8.298 14.061 -3.168 18 1HD LYS 2 1HD LYS 2 -9.711 14.194 -1.165 19 2HD LYS 2 2HD LYS 2 -8.036 14.096 -0.676 20 1HE LYS 2 1HE LYS 2 -7.995 16.570 -0.315 21 2HE LYS 2 2HE LYS 2 -9.665 16.676 -0.861 22 1HZ LYS 2 1HZ LYS 2 -8.704 15.132 1.477 23 2HZ LYS 2 2HZ LYS 2 -9.489 16.638 1.534 24 3HZ LYS 2 3HZ LYS 2 -10.319 15.268 0.968 25 H ALA 3 H ALA 3 -4.975 12.744 -1.227 26 HA ALA 3 HA ALA 3 -4.567 10.572 -1.900 27 1HB ALA 3 1HB ALA 3 -6.943 10.558 -2.660 28 2HB ALA 3 2HB ALA 3 -6.475 11.223 -4.217 29 3HB ALA 3 3HB ALA 3 -5.936 9.623 -3.752 30 H CYS 4 H CYS 4 -2.809 9.752 -2.850 31 HA CYS 4 HA CYS 4 -1.167 11.329 -4.557 32 1HB CYS 4 1HB CYS 4 -1.080 8.390 -3.898 33 2HB CYS 4 2HB CYS 4 0.197 9.283 -4.663 34 H THR 5 H THR 5 -0.227 10.535 -6.579 35 HA THR 5 HA THR 5 -2.301 9.976 -8.551 36 HB THR 5 HB THR 5 0.652 10.733 -8.904 37 HG1 THR 5 HG1 THR 5 -1.756 12.175 -8.463 38 1HG2 THR 5 1HG2 THR 5 -1.845 11.259 -10.561 39 2HG2 THR 5 2HG2 THR 5 -0.188 11.710 -10.977 40 3HG2 THR 5 3HG2 THR 5 -0.664 10.014 -10.963 41 H LEU 6 H LEU 6 -1.962 7.728 -7.140 42 HA LEU 6 HA LEU 6 -1.434 5.456 -7.252 43 1HB LEU 6 1HB LEU 6 -1.323 6.139 -10.231 44 2HB LEU 6 2HB LEU 6 -1.473 4.520 -9.589 45 HG LEU 6 HG LEU 6 -3.504 6.705 -8.934 46 1HD1 LEU 6 1HD1 LEU 6 -3.623 4.588 -11.136 47 2HD1 LEU 6 2HD1 LEU 6 -4.924 5.683 -10.699 48 3HD1 LEU 6 3HD1 LEU 6 -3.444 6.315 -11.395 49 1HD2 LEU 6 1HD2 LEU 6 -3.452 4.687 -7.415 50 2HD2 LEU 6 2HD2 LEU 6 -4.931 4.750 -8.351 51 3HD2 LEU 6 3HD2 LEU 6 -3.644 3.648 -8.812 52 H ASN 7 H ASN 7 0.883 7.506 -7.297 53 HA ASN 7 HA ASN 7 3.048 6.480 -8.648 54 1HB ASN 7 1HB ASN 7 3.184 7.829 -5.920 55 2HB ASN 7 2HB ASN 7 4.397 7.867 -7.187 56 1HD2 ASN 7 2HD2 ASN 7 1.531 9.348 -5.986 57 2HD2 ASN 7 1HD2 ASN 7 1.344 10.507 -7.208 58 H CYS 8 H CYS 8 4.806 5.240 -7.857 59 HA CYS 8 HA CYS 8 3.973 2.952 -6.221 60 1HB CYS 8 1HB CYS 8 6.839 3.125 -6.766 61 2HB CYS 8 2HB CYS 8 5.698 1.864 -7.114 62 H ASP 9 H ASP 9 4.213 2.756 -4.129 63 HA ASP 9 HA ASP 9 5.696 4.820 -2.601 64 1HB ASP 9 1HB ASP 9 3.376 4.146 -1.931 65 2HB ASP 9 2HB ASP 9 3.930 2.523 -1.629 66 HA PRO 10 HA PRO 10 9.169 2.084 -3.156 67 1HB PRO 10 1HB PRO 10 10.637 3.236 -0.917 68 2HB PRO 10 2HB PRO 10 10.927 3.416 -2.639 69 1HG PRO 10 1HG PRO 10 9.750 5.323 -0.831 70 2HG PRO 10 2HG PRO 10 10.077 5.524 -2.545 71 1HD PRO 10 1HD PRO 10 7.519 5.248 -1.301 72 2HD PRO 10 2HD PRO 10 7.850 5.306 -3.038 73 H ARG 11 H ARG 11 7.837 2.497 -0.020 74 HA ARG 11 HA ARG 11 9.038 0.160 1.215 75 1HB ARG 11 1HB ARG 11 7.022 0.666 2.900 76 2HB ARG 11 2HB ARG 11 8.426 1.711 2.839 77 1HG ARG 11 1HG ARG 11 7.306 3.345 1.483 78 2HG ARG 11 2HG ARG 11 5.987 2.245 1.123 79 1HD ARG 11 1HD ARG 11 6.607 3.261 3.923 80 2HD ARG 11 2HD ARG 11 5.457 4.034 2.829 81 HE ARG 11 HE ARG 11 4.978 1.198 3.057 82 1HH1 ARG 11 1HH1 ARG 11 4.523 4.264 4.612 83 2HH1 ARG 11 2HH1 ARG 11 3.112 3.755 5.474 84 1HH2 ARG 11 1HH2 ARG 11 3.191 0.530 4.144 85 2HH2 ARG 11 2HH2 ARG 11 2.338 1.604 5.204 86 H ILE 12 H ILE 12 6.026 0.876 -0.415 87 HA ILE 12 HA ILE 12 4.903 -1.810 0.059 88 HB ILE 12 HB ILE 12 3.817 0.479 -1.570 89 1HG1 ILE 12 1HG1 ILE 12 3.365 -0.489 1.300 90 2HG1 ILE 12 2HG1 ILE 12 4.110 1.020 0.841 91 1HG2 ILE 12 1HG2 ILE 12 2.890 -1.775 -2.226 92 2HG2 ILE 12 2HG2 ILE 12 2.506 -2.098 -0.542 93 3HG2 ILE 12 3HG2 ILE 12 1.678 -0.822 -1.418 94 1HD1 ILE 12 1HD1 ILE 12 1.992 1.727 -0.223 95 2HD1 ILE 12 2HD1 ILE 12 1.241 0.225 0.317 96 3HD1 ILE 12 3HD1 ILE 12 1.812 1.390 1.500 97 H ALA 13 H ALA 13 4.515 -3.266 -1.697 98 HA ALA 13 HA ALA 13 6.411 -3.022 -3.973 99 1HB ALA 13 1HB ALA 13 4.716 -5.377 -3.035 100 2HB ALA 13 2HB ALA 13 5.891 -5.439 -4.333 101 3HB ALA 13 3HB ALA 13 6.423 -5.114 -2.710 102 H TYR 14 H TYR 14 3.078 -4.037 -3.422 103 HA TYR 14 HA TYR 14 2.011 -2.384 -5.572 104 1HB TYR 14 1HB TYR 14 1.290 -4.282 -7.038 105 2HB TYR 14 2HB TYR 14 3.030 -4.156 -6.966 106 HD1 TYR 14 HD1 TYR 14 4.363 -5.804 -5.743 107 HD2 TYR 14 HD2 TYR 14 0.133 -6.206 -5.987 108 HE1 TYR 14 HE1 TYR 14 4.541 -8.120 -4.974 109 HE2 TYR 14 HE2 TYR 14 0.316 -8.525 -5.222 110 HH TYR 14 HH TYR 14 1.650 -10.145 -4.557 111 H GLY 15 H GLY 15 -0.317 -3.607 -6.124 112 1HA GLY 15 1HA GLY 15 -1.561 -4.703 -3.740 113 2HA GLY 15 2HA GLY 15 -2.034 -3.033 -4.037 114 H VAL 16 H VAL 16 -3.686 -5.280 -3.979 115 HA VAL 16 HA VAL 16 -4.646 -5.558 -6.821 116 HB VAL 16 HB VAL 16 -5.424 -7.308 -4.429 117 1HG1 VAL 16 1HG1 VAL 16 -5.516 -7.800 -7.454 118 2HG1 VAL 16 2HG1 VAL 16 -5.996 -8.949 -6.220 119 3HG1 VAL 16 3HG1 VAL 16 -6.920 -7.482 -6.446 120 1HG2 VAL 16 1HG2 VAL 16 -2.956 -7.384 -4.823 121 2HG2 VAL 16 2HG2 VAL 16 -3.717 -8.909 -5.212 122 3HG2 VAL 16 3HG2 VAL 16 -3.231 -7.803 -6.491 123 H CYS 17 H CYS 17 -7.065 -5.680 -6.966 124 HA CYS 17 HA CYS 17 -8.590 -4.256 -4.899 125 1HB CYS 17 1HB CYS 17 -8.084 -3.109 -7.657 126 2HB CYS 17 2HB CYS 17 -9.272 -2.450 -6.587 127 HA PRO 18 HA PRO 18 -12.351 -6.077 -6.842 128 1HB PRO 18 1HB PRO 18 -13.071 -3.359 -7.805 129 2HB PRO 18 2HB PRO 18 -14.011 -4.502 -6.856 130 1HG PRO 18 1HG PRO 18 -12.611 -2.233 -5.873 131 2HG PRO 18 2HG PRO 18 -13.359 -3.494 -4.904 132 1HD PRO 18 1HD PRO 18 -10.557 -2.971 -5.152 133 2HD PRO 18 2HD PRO 18 -11.301 -4.341 -4.325 134 H ARG 19 H ARG 19 -13.325 -6.268 -8.971 135 HA ARG 19 HA ARG 19 -13.235 -6.702 -11.246 136 1HB ARG 19 1HB ARG 19 -11.099 -4.513 -11.496 137 2HB ARG 19 2HB ARG 19 -12.227 -5.042 -12.717 138 1HG ARG 19 1HG ARG 19 -12.959 -3.514 -10.175 139 2HG ARG 19 2HG ARG 19 -12.921 -2.866 -11.796 140 1HD ARG 19 1HD ARG 19 -14.801 -5.079 -10.838 141 2HD ARG 19 2HD ARG 19 -15.255 -3.415 -11.152 142 HE ARG 19 HE ARG 19 -14.772 -5.486 -13.151 143 1HH1 ARG 19 1HH1 ARG 19 -14.848 -2.077 -12.512 144 2HH1 ARG 19 2HH1 ARG 19 -15.124 -1.662 -14.171 145 1HH2 ARG 19 1HH2 ARG 19 -15.118 -4.978 -15.250 146 2HH2 ARG 19 2HH2 ARG 19 -15.279 -3.325 -15.742 147 H SER 20 H SER 20 -11.529 -7.893 -9.335 148 HA SER 20 HA SER 20 -10.040 -9.748 -10.813 149 1HB SER 20 1HB SER 20 -7.669 -9.048 -10.021 150 2HB SER 20 2HB SER 20 -8.325 -7.913 -11.201 151 HG SER 20 HG SER 20 -9.186 -6.768 -9.319 152 H GLU 21 H GLU 21 -10.553 -11.312 -9.511 153 HA GLU 21 HA GLU 21 -11.232 -10.996 -6.767 154 1HB GLU 21 1HB GLU 21 -10.943 -13.442 -8.545 155 2HB GLU 21 2HB GLU 21 -11.507 -13.537 -6.891 156 1HG GLU 21 1HG GLU 21 -13.437 -13.446 -8.431 157 2HG GLU 21 2HG GLU 21 -13.406 -12.012 -7.428 158 H GLU 22 H GLU 22 -9.441 -10.199 -5.865 159 HA GLU 22 HA GLU 22 -7.332 -10.064 -4.942 160 1HB GLU 22 1HB GLU 22 -9.084 -11.751 -3.599 161 2HB GLU 22 2HB GLU 22 -7.690 -12.792 -3.714 162 1HG GLU 22 1HG GLU 22 -7.771 -9.985 -2.546 163 2HG GLU 22 2HG GLU 22 -7.605 -11.474 -1.636 164 H LYS 23 H LYS 23 -6.933 -10.827 -7.434 165 HA LYS 23 HA LYS 23 -4.969 -13.023 -7.428 166 1HB LYS 23 1HB LYS 23 -6.711 -12.957 -9.231 167 2HB LYS 23 2HB LYS 23 -6.203 -11.346 -9.687 168 1HG LYS 23 1HG LYS 23 -3.871 -12.381 -10.307 169 2HG LYS 23 2HG LYS 23 -4.601 -13.918 -9.975 170 1HD LYS 23 1HD LYS 23 -5.683 -11.967 -12.038 171 2HD LYS 23 2HD LYS 23 -4.606 -13.298 -12.404 172 1HE LYS 23 1HE LYS 23 -6.301 -14.909 -11.496 173 2HE LYS 23 2HE LYS 23 -7.398 -13.566 -11.199 174 1HZ LYS 23 1HZ LYS 23 -6.277 -14.248 -13.846 175 2HZ LYS 23 2HZ LYS 23 -7.815 -14.712 -13.293 176 3HZ LYS 23 3HZ LYS 23 -7.450 -13.067 -13.508 177 H LYS 24 H LYS 24 -4.028 -10.810 -9.754 178 HA LYS 24 HA LYS 24 -2.916 -8.629 -8.373 179 1HB LYS 24 1HB LYS 24 -0.383 -9.660 -8.810 180 2HB LYS 24 2HB LYS 24 -1.177 -9.656 -7.256 181 1HG LYS 24 1HG LYS 24 -1.798 -11.972 -7.404 182 2HG LYS 24 2HG LYS 24 -1.470 -12.027 -9.124 183 1HD LYS 24 1HD LYS 24 0.304 -13.132 -7.755 184 2HD LYS 24 2HD LYS 24 0.932 -11.809 -8.715 185 1HE LYS 24 1HE LYS 24 1.821 -11.807 -6.372 186 2HE LYS 24 2HE LYS 24 0.947 -10.331 -6.737 187 1HZ LYS 24 1HZ LYS 24 -0.200 -12.677 -5.336 188 2HZ LYS 24 2HZ LYS 24 0.384 -11.272 -4.576 189 3HZ LYS 24 3HZ LYS 24 -0.967 -11.185 -5.604 190 H ASN 25 H ASN 25 -2.122 -7.257 -9.859 191 HA ASN 25 HA ASN 25 -2.319 -8.038 -12.670 192 1HB ASN 25 1HB ASN 25 -2.457 -5.535 -11.083 193 2HB ASN 25 2HB ASN 25 -1.566 -5.308 -12.575 194 1HD2 ASN 25 2HD2 ASN 25 -2.703 -5.626 -14.598 195 2HD2 ASN 25 1HD2 ASN 25 -4.398 -5.704 -14.654 196 H ASP 26 H ASP 26 -0.247 -9.281 -11.315 197 HA ASP 26 HA ASP 26 2.002 -9.786 -11.394 198 1HB ASP 26 1HB ASP 26 1.072 -9.212 -14.035 199 2HB ASP 26 2HB ASP 26 2.623 -8.413 -13.958 200 H ARG 27 H ARG 27 2.048 -8.243 -9.632 201 HA ARG 27 HA ARG 27 2.854 -6.459 -8.424 202 1HB ARG 27 1HB ARG 27 4.757 -7.810 -8.470 203 2HB ARG 27 2HB ARG 27 5.051 -7.499 -10.161 204 1HG ARG 27 1HG ARG 27 5.893 -5.241 -9.640 205 2HG ARG 27 2HG ARG 27 5.249 -5.328 -8.013 206 1HD ARG 27 1HD ARG 27 6.942 -7.024 -7.417 207 2HD ARG 27 2HD ARG 27 7.460 -7.147 -9.095 208 HE ARG 27 HE ARG 27 8.795 -5.276 -8.737 209 1HH1 ARG 27 1HH1 ARG 27 6.203 -5.276 -6.432 210 2HH1 ARG 27 2HH1 ARG 27 6.786 -3.864 -5.621 211 1HH2 ARG 27 1HH2 ARG 27 9.545 -3.497 -7.709 212 2HH2 ARG 27 2HH2 ARG 27 8.699 -2.850 -6.343 213 H ILE 28 H ILE 28 1.827 -4.607 -8.775 214 HA ILE 28 HA ILE 28 2.274 -2.938 -11.057 215 HB ILE 28 HB ILE 28 0.733 -2.291 -8.573 216 1HG1 ILE 28 1HG1 ILE 28 -1.386 -3.210 -9.926 217 2HG1 ILE 28 2HG1 ILE 28 -0.224 -4.041 -10.929 218 1HG2 ILE 28 1HG2 ILE 28 0.323 -1.480 -11.419 219 2HG2 ILE 28 2HG2 ILE 28 -0.805 -1.130 -10.112 220 3HG2 ILE 28 3HG2 ILE 28 0.789 -0.444 -10.067 221 1HD1 ILE 28 1HD1 ILE 28 -0.606 -4.513 -7.955 222 2HD1 ILE 28 2HD1 ILE 28 -1.290 -5.495 -9.227 223 3HD1 ILE 28 3HD1 ILE 28 0.429 -5.480 -8.997 224 H CYS 29 H CYS 29 2.400 -0.522 -10.150 225 HA CYS 29 HA CYS 29 4.602 -0.190 -8.160 226 1HB CYS 29 1HB CYS 29 5.203 -0.189 -10.729 227 2HB CYS 29 2HB CYS 29 4.369 1.326 -10.793 228 H THR 30 H THR 30 2.685 0.179 -6.897 229 HA THR 30 HA THR 30 1.557 2.911 -7.242 230 HB THR 30 HB THR 30 -0.097 1.340 -8.149 231 HG1 THR 30 HG1 THR 30 -0.686 3.061 -6.574 232 1HG2 THR 30 1HG2 THR 30 0.076 -0.091 -5.439 233 2HG2 THR 30 2HG2 THR 30 -1.059 -0.470 -6.728 234 3HG2 THR 30 3HG2 THR 30 0.659 -0.738 -6.953 235 H ASN 31 H ASN 31 0.141 3.467 -5.305 236 HA ASN 31 HA ASN 31 1.480 2.789 -2.733 237 1HB ASN 31 1HB ASN 31 1.269 5.280 -2.157 238 2HB ASN 31 2HB ASN 31 2.355 4.973 -3.493 239 1HD2 ASN 31 2HD2 ASN 31 2.103 6.974 -4.546 240 2HD2 ASN 31 1HD2 ASN 31 0.620 7.495 -5.177 241 H CYS 32 H CYS 32 0.131 2.869 -0.912 242 HA CYS 32 HA CYS 32 -2.621 2.144 -1.363 243 1HB CYS 32 1HB CYS 32 -1.295 1.420 0.638 244 2HB CYS 32 2HB CYS 32 -1.262 3.068 1.204 245 H CYS 33 H CYS 33 -0.950 5.059 -0.608 246 HA CYS 33 HA CYS 33 -2.886 6.834 0.280 247 1HB CYS 33 1HB CYS 33 -0.602 7.448 0.255 248 2HB CYS 33 2HB CYS 33 -0.452 7.164 -1.456 249 H ALA 34 H ALA 34 -2.393 5.715 -2.952 250 HA ALA 34 HA ALA 34 -4.425 7.597 -4.058 251 1HB ALA 34 1HB ALA 34 -2.319 7.226 -5.346 252 2HB ALA 34 2HB ALA 34 -2.708 5.516 -5.458 253 3HB ALA 34 3HB ALA 34 -3.728 6.704 -6.255 254 H GLY 35 H GLY 35 -3.719 4.255 -3.565 255 1HA GLY 35 1HA GLY 35 -5.467 2.664 -4.738 256 2HA GLY 35 2HA GLY 35 -5.130 2.467 -3.034 257 H THR 36 H THR 36 -7.430 1.837 -4.681 258 HA THR 36 HA THR 36 -9.614 3.545 -3.717 259 HB THR 36 HB THR 36 -10.044 0.887 -4.948 260 HG1 THR 36 HG1 THR 36 -8.357 1.912 -6.159 261 1HG2 THR 36 1HG2 THR 36 -11.299 3.617 -5.559 262 2HG2 THR 36 2HG2 THR 36 -11.792 2.098 -6.284 263 3HG2 THR 36 3HG2 THR 36 -12.056 2.366 -4.578 264 H LYS 37 H LYS 37 -11.519 2.192 -2.871 265 HA LYS 37 HA LYS 37 -10.655 0.946 -0.363 266 1HB LYS 37 1HB LYS 37 -12.518 2.214 0.038 267 2HB LYS 37 2HB LYS 37 -13.205 1.986 -1.558 268 1HG LYS 37 1HG LYS 37 -13.904 -0.340 -0.900 269 2HG LYS 37 2HG LYS 37 -13.273 -0.056 0.709 270 1HD LYS 37 1HD LYS 37 -15.501 1.563 -0.604 271 2HD LYS 37 2HD LYS 37 -15.765 0.238 0.505 272 1HE LYS 37 1HE LYS 37 -15.959 2.237 1.822 273 2HE LYS 37 2HE LYS 37 -14.390 1.565 2.231 274 1HZ LYS 37 1HZ LYS 37 -14.294 3.355 0.001 275 2HZ LYS 37 2HZ LYS 37 -14.867 4.091 1.419 276 3HZ LYS 37 3HZ LYS 37 -13.354 3.322 1.414 277 H GLY 38 H GLY 38 -11.214 -1.186 0.254 278 1HA GLY 38 1HA GLY 38 -11.784 -3.455 -0.082 279 2HA GLY 38 2HA GLY 38 -12.205 -3.092 -1.749 280 H CYS 39 H CYS 39 -9.442 -1.687 -1.901 281 HA CYS 39 HA CYS 39 -8.037 -3.833 -3.122 282 1HB CYS 39 1HB CYS 39 -7.039 -1.158 -2.117 283 2HB CYS 39 2HB CYS 39 -6.176 -2.170 -3.215 284 H LYS 40 H LYS 40 -5.693 -4.194 -2.578 285 HA LYS 40 HA LYS 40 -5.121 -4.621 0.283 286 1HB LYS 40 1HB LYS 40 -5.193 -6.843 -1.802 287 2HB LYS 40 2HB LYS 40 -4.437 -6.995 -0.226 288 1HG LYS 40 1HG LYS 40 -6.596 -6.557 0.889 289 2HG LYS 40 2HG LYS 40 -7.380 -6.318 -0.665 290 1HD LYS 40 1HD LYS 40 -7.880 -8.566 0.082 291 2HD LYS 40 2HD LYS 40 -6.802 -8.647 -1.297 292 1HE LYS 40 1HE LYS 40 -4.863 -9.036 0.213 293 2HE LYS 40 2HE LYS 40 -5.924 -8.907 1.610 294 1HZ LYS 40 1HZ LYS 40 -7.189 -10.759 0.198 295 2HZ LYS 40 2HZ LYS 40 -5.590 -11.064 -0.287 296 3HZ LYS 40 3HZ LYS 40 -6.001 -11.108 1.359 297 H TYR 41 H TYR 41 -3.487 -3.185 0.165 298 HA TYR 41 HA TYR 41 -1.349 -3.443 -1.821 299 1HB TYR 41 1HB TYR 41 -2.046 -1.489 0.363 300 2HB TYR 41 2HB TYR 41 -0.474 -1.451 -0.386 301 HD1 TYR 41 HD1 TYR 41 -4.129 -1.502 -1.341 302 HD2 TYR 41 HD2 TYR 41 -0.189 -0.216 -2.337 303 HE1 TYR 41 HE1 TYR 41 -5.014 -0.220 -3.236 304 HE2 TYR 41 HE2 TYR 41 -1.083 1.053 -4.211 305 HH TYR 41 HH TYR 41 -3.242 2.120 -4.849 306 H PHE 42 H PHE 42 0.391 -4.686 -1.495 307 HA PHE 42 HA PHE 42 1.368 -5.214 1.243 308 1HB PHE 42 1HB PHE 42 2.199 -7.327 -0.520 309 2HB PHE 42 2HB PHE 42 1.177 -7.354 0.886 310 HD1 PHE 42 HD1 PHE 42 0.868 -6.466 -2.732 311 HD2 PHE 42 HD2 PHE 42 -0.912 -8.231 0.712 312 HE1 PHE 42 HE1 PHE 42 -1.065 -7.146 -4.070 313 HE2 PHE 42 HE2 PHE 42 -2.847 -8.916 -0.632 314 HZ PHE 42 HZ PHE 42 -2.928 -8.382 -3.016 315 H SER 43 H SER 43 3.537 -5.400 1.545 316 HA SER 43 HA SER 43 5.292 -3.823 -0.061 317 1HB SER 43 1HB SER 43 5.649 -5.564 2.387 318 2HB SER 43 2HB SER 43 6.895 -4.557 1.698 319 HG SER 43 HG SER 43 5.479 -2.778 1.867 320 H ASP 44 H ASP 44 7.548 -4.834 -0.079 321 HA ASP 44 HA ASP 44 7.454 -7.029 -2.070 322 1HB ASP 44 1HB ASP 44 8.834 -4.623 -2.028 323 2HB ASP 44 2HB ASP 44 10.084 -5.745 -1.532 324 H ASP 45 H ASP 45 8.525 -6.494 1.155 325 HA ASP 45 HA ASP 45 10.395 -8.727 1.242 326 1HB ASP 45 1HB ASP 45 10.509 -8.249 3.643 327 2HB ASP 45 2HB ASP 45 10.528 -6.730 2.770 328 H GLY 46 H GLY 46 7.226 -8.865 0.707 329 1HA GLY 46 1HA GLY 46 5.753 -10.587 0.764 330 2HA GLY 46 2HA GLY 46 6.946 -11.555 1.646 331 H THR 47 H THR 47 5.076 -8.589 2.163 332 HA THR 47 HA THR 47 3.771 -9.632 4.475 333 HB THR 47 HB THR 47 5.743 -7.303 4.597 334 HG1 THR 47 HG1 THR 47 6.744 -8.686 6.048 335 1HG2 THR 47 1HG2 THR 47 3.952 -8.425 6.849 336 2HG2 THR 47 2HG2 THR 47 5.124 -7.129 7.033 337 3HG2 THR 47 3HG2 THR 47 3.670 -6.867 6.089 338 H PHE 48 H PHE 48 1.880 -8.694 4.838 339 HA PHE 48 HA PHE 48 0.733 -6.994 2.808 340 1HB PHE 48 1HB PHE 48 -0.650 -8.717 3.698 341 2HB PHE 48 2HB PHE 48 -0.288 -8.276 5.357 342 HD1 PHE 48 HD1 PHE 48 -1.309 -6.350 6.396 343 HD2 PHE 48 HD2 PHE 48 -2.318 -7.389 2.384 344 HE1 PHE 48 HE1 PHE 48 -3.245 -4.857 6.502 345 HE2 PHE 48 HE2 PHE 48 -4.259 -5.892 2.500 346 HZ PHE 48 HZ PHE 48 -4.711 -4.622 4.569 347 H VAL 49 H VAL 49 0.249 -4.892 2.843 348 HA VAL 49 HA VAL 49 1.151 -3.278 5.189 349 HB VAL 49 HB VAL 49 0.714 -2.390 2.294 350 1HG1 VAL 49 1HG1 VAL 49 1.935 -0.938 4.671 351 2HG1 VAL 49 2HG1 VAL 49 1.855 -0.332 3.023 352 3HG1 VAL 49 3HG1 VAL 49 0.385 -0.551 3.945 353 1HG2 VAL 49 1HG2 VAL 49 2.626 -3.956 2.608 354 2HG2 VAL 49 2HG2 VAL 49 3.164 -2.337 2.217 355 3HG2 VAL 49 3HG2 VAL 49 3.255 -2.918 3.872 356 H CYS 50 H CYS 50 -1.266 -2.521 2.646 357 HA CYS 50 HA CYS 50 -3.249 -2.003 4.834 358 1HB CYS 50 1HB CYS 50 -3.684 0.128 4.099 359 2HB CYS 50 2HB CYS 50 -2.034 0.049 3.554 360 H GLU 51 H GLU 51 -5.442 -1.761 4.010 361 HA GLU 51 HA GLU 51 -6.035 -3.437 1.644 362 1HB GLU 51 1HB GLU 51 -6.515 -5.033 3.165 363 2HB GLU 51 2HB GLU 51 -6.686 -3.920 4.498 364 1HG GLU 51 1HG GLU 51 -8.772 -5.195 4.047 365 2HG GLU 51 2HG GLU 51 -9.034 -3.479 3.924 366 H GLY 52 H GLY 52 -6.691 -1.883 0.393 367 1HA GLY 52 1HA GLY 52 -8.195 -0.414 -0.566 368 2HA GLY 52 2HA GLY 52 -9.254 -0.661 0.804 369 H GLU 53 H GLU 53 -9.030 1.851 -0.319 370 HA GLU 53 HA GLU 53 -8.201 3.421 1.951 371 1HB GLU 53 1HB GLU 53 -5.994 2.976 0.933 372 2HB GLU 53 2HB GLU 53 -6.528 3.596 -0.601 373 1HG GLU 53 1HG GLU 53 -6.626 5.325 1.903 374 2HG GLU 53 2HG GLU 53 -5.115 5.135 1.047 375 H SER 54 H SER 54 -9.311 3.558 -1.532 376 HA SER 54 HA SER 54 -10.740 6.080 -0.671 377 1HB SER 54 1HB SER 54 -9.607 5.459 -3.468 378 2HB SER 54 2HB SER 54 -10.561 6.872 -3.027 379 HG SER 54 HG SER 54 -8.286 6.057 -1.588 Start of MODEL 6 1 1H MET 1 1H MET 1 -1.281 17.195 3.166 2 2H MET 1 2H MET 1 -0.498 18.644 3.582 3 3H MET 1 3H MET 1 -2.188 18.523 3.712 4 HA MET 1 HA MET 1 -1.705 19.770 1.781 5 1HB MET 1 1HB MET 1 0.476 17.823 1.564 6 2HB MET 1 2HB MET 1 -0.431 17.834 0.066 7 1HG MET 1 1HG MET 1 1.355 19.479 -0.032 8 2HG MET 1 2HG MET 1 -0.196 20.262 -0.098 9 1HE MET 1 1HE MET 1 3.224 20.160 1.364 10 2HE MET 1 2HE MET 1 3.059 20.685 3.030 11 3HE MET 1 3HE MET 1 2.469 19.096 2.577 12 H LYS 2 H LYS 2 -2.965 19.567 -0.099 13 HA LYS 2 HA LYS 2 -5.240 17.935 0.126 14 1HB LYS 2 1HB LYS 2 -5.107 20.110 -1.106 15 2HB LYS 2 2HB LYS 2 -4.095 19.360 -2.320 16 1HG LYS 2 1HG LYS 2 -6.387 19.483 -3.140 17 2HG LYS 2 2HG LYS 2 -5.958 17.802 -2.907 18 1HD LYS 2 1HD LYS 2 -7.158 17.798 -0.709 19 2HD LYS 2 2HD LYS 2 -7.543 19.501 -0.917 20 1HE LYS 2 1HE LYS 2 -8.784 18.944 -2.986 21 2HE LYS 2 2HE LYS 2 -8.381 17.242 -2.763 22 1HZ LYS 2 1HZ LYS 2 -9.558 17.274 -0.662 23 2HZ LYS 2 2HZ LYS 2 -9.952 18.911 -0.885 24 3HZ LYS 2 3HZ LYS 2 -10.581 17.735 -1.938 25 H ALA 3 H ALA 3 -5.834 16.060 -0.746 26 HA ALA 3 HA ALA 3 -5.718 13.928 -1.638 27 1HB ALA 3 1HB ALA 3 -5.499 15.138 -3.790 28 2HB ALA 3 2HB ALA 3 -3.757 15.233 -3.594 29 3HB ALA 3 3HB ALA 3 -4.530 13.676 -3.817 30 H CYS 4 H CYS 4 -4.256 12.082 -2.151 31 HA CYS 4 HA CYS 4 -2.351 11.737 -0.018 32 1HB CYS 4 1HB CYS 4 -3.083 10.029 -2.392 33 2HB CYS 4 2HB CYS 4 -2.065 9.498 -1.091 34 H THR 5 H THR 5 -0.267 10.394 -0.756 35 HA THR 5 HA THR 5 1.472 12.294 -1.997 36 HB THR 5 HB THR 5 1.930 9.369 -1.109 37 HG1 THR 5 HG1 THR 5 2.098 11.917 0.136 38 1HG2 THR 5 1HG2 THR 5 3.826 11.749 -1.326 39 2HG2 THR 5 2HG2 THR 5 4.249 10.110 -0.827 40 3HG2 THR 5 3HG2 THR 5 3.782 10.431 -2.495 41 H LEU 6 H LEU 6 0.097 9.238 -2.913 42 HA LEU 6 HA LEU 6 -0.337 8.267 -4.962 43 1HB LEU 6 1HB LEU 6 0.917 10.681 -6.326 44 2HB LEU 6 2HB LEU 6 -0.274 9.569 -6.962 45 HG LEU 6 HG LEU 6 -0.773 11.532 -4.667 46 1HD1 LEU 6 1HD1 LEU 6 -1.755 11.550 -7.551 47 2HD1 LEU 6 2HD1 LEU 6 -2.232 12.691 -6.303 48 3HD1 LEU 6 3HD1 LEU 6 -0.569 12.648 -6.861 49 1HD2 LEU 6 1HD2 LEU 6 -2.715 9.660 -6.114 50 2HD2 LEU 6 2HD2 LEU 6 -2.163 9.454 -4.461 51 3HD2 LEU 6 3HD2 LEU 6 -3.154 10.835 -4.884 52 H ASN 7 H ASN 7 2.865 9.647 -4.493 53 HA ASN 7 HA ASN 7 4.236 8.250 -6.445 54 1HB ASN 7 1HB ASN 7 5.222 9.288 -3.756 55 2HB ASN 7 2HB ASN 7 6.259 8.862 -5.108 56 1HD2 ASN 7 2HD2 ASN 7 5.795 10.095 -7.209 57 2HD2 ASN 7 1HD2 ASN 7 5.314 11.717 -7.070 58 H CYS 8 H CYS 8 6.171 6.808 -5.634 59 HA CYS 8 HA CYS 8 4.979 4.315 -4.723 60 1HB CYS 8 1HB CYS 8 7.907 4.366 -4.758 61 2HB CYS 8 2HB CYS 8 6.797 3.336 -5.602 62 H ASP 9 H ASP 9 4.829 3.639 -2.770 63 HA ASP 9 HA ASP 9 6.142 5.080 -0.545 64 1HB ASP 9 1HB ASP 9 3.760 4.785 -0.397 65 2HB ASP 9 2HB ASP 9 3.881 3.053 -0.642 66 HA PRO 10 HA PRO 10 9.347 2.155 -0.791 67 1HB PRO 10 1HB PRO 10 10.248 2.313 1.924 68 2HB PRO 10 2HB PRO 10 10.851 3.221 0.547 69 1HG PRO 10 1HG PRO 10 9.071 4.110 2.709 70 2HG PRO 10 2HG PRO 10 9.990 5.078 1.566 71 1HD PRO 10 1HD PRO 10 7.195 4.701 1.513 72 2HD PRO 10 2HD PRO 10 8.172 5.329 0.172 73 H ARG 11 H ARG 11 7.181 1.836 1.894 74 HA ARG 11 HA ARG 11 7.829 -0.848 2.502 75 1HB ARG 11 1HB ARG 11 6.845 0.915 4.058 76 2HB ARG 11 2HB ARG 11 5.345 0.798 3.175 77 1HG ARG 11 1HG ARG 11 5.163 -0.494 5.190 78 2HG ARG 11 2HG ARG 11 5.116 -1.558 3.802 79 1HD ARG 11 1HD ARG 11 7.738 -1.000 5.215 80 2HD ARG 11 2HD ARG 11 6.613 -2.212 5.787 81 HE ARG 11 HE ARG 11 7.179 -2.450 2.951 82 1HH1 ARG 11 1HH1 ARG 11 8.262 -3.261 6.144 83 2HH1 ARG 11 2HH1 ARG 11 9.164 -4.639 5.611 84 1HH2 ARG 11 1HH2 ARG 11 8.327 -4.190 2.259 85 2HH2 ARG 11 2HH2 ARG 11 9.200 -5.175 3.385 86 H ILE 12 H ILE 12 5.481 0.749 0.426 87 HA ILE 12 HA ILE 12 4.023 -1.737 -0.156 88 HB ILE 12 HB ILE 12 3.756 1.062 -1.244 89 1HG1 ILE 12 1HG1 ILE 12 2.122 -0.675 0.675 90 2HG1 ILE 12 2HG1 ILE 12 3.194 0.618 1.176 91 1HG2 ILE 12 1HG2 ILE 12 1.991 -1.401 -1.738 92 2HG2 ILE 12 2HG2 ILE 12 1.620 0.230 -2.269 93 3HG2 ILE 12 3HG2 ILE 12 2.976 -0.615 -2.960 94 1HD1 ILE 12 1HD1 ILE 12 1.829 2.229 -0.061 95 2HD1 ILE 12 2HD1 ILE 12 0.720 0.938 -0.530 96 3HD1 ILE 12 3HD1 ILE 12 0.906 1.362 1.163 97 H ALA 13 H ALA 13 3.926 -2.761 -2.036 98 HA ALA 13 HA ALA 13 6.100 -2.350 -4.047 99 1HB ALA 13 1HB ALA 13 4.759 -4.948 -3.158 100 2HB ALA 13 2HB ALA 13 6.017 -4.823 -4.368 101 3HB ALA 13 3HB ALA 13 6.366 -4.415 -2.698 102 H TYR 14 H TYR 14 2.992 -3.962 -3.601 103 HA TYR 14 HA TYR 14 1.777 -2.496 -5.836 104 1HB TYR 14 1HB TYR 14 1.256 -4.594 -7.149 105 2HB TYR 14 2HB TYR 14 2.969 -4.267 -7.059 106 HD1 TYR 14 HD1 TYR 14 4.399 -5.612 -5.469 107 HD2 TYR 14 HD2 TYR 14 0.346 -6.612 -6.263 108 HE1 TYR 14 HE1 TYR 14 4.785 -7.858 -4.574 109 HE2 TYR 14 HE2 TYR 14 0.727 -8.857 -5.370 110 HH TYR 14 HH TYR 14 2.624 -10.406 -5.038 111 H GLY 15 H GLY 15 -0.435 -3.875 -6.291 112 1HA GLY 15 1HA GLY 15 -1.590 -4.798 -3.753 113 2HA GLY 15 2HA GLY 15 -2.280 -3.312 -4.403 114 H VAL 16 H VAL 16 -4.044 -5.082 -4.078 115 HA VAL 16 HA VAL 16 -4.752 -6.024 -6.803 116 HB VAL 16 HB VAL 16 -4.541 -7.824 -4.356 117 1HG1 VAL 16 1HG1 VAL 16 -5.969 -8.501 -6.959 118 2HG1 VAL 16 2HG1 VAL 16 -5.615 -9.640 -5.672 119 3HG1 VAL 16 3HG1 VAL 16 -6.735 -8.327 -5.387 120 1HG2 VAL 16 1HG2 VAL 16 -3.411 -8.104 -7.162 121 2HG2 VAL 16 2HG2 VAL 16 -2.495 -7.671 -5.728 122 3HG2 VAL 16 3HG2 VAL 16 -3.219 -9.255 -5.846 123 H CYS 17 H CYS 17 -6.979 -6.360 -7.097 124 HA CYS 17 HA CYS 17 -8.846 -5.783 -4.882 125 1HB CYS 17 1HB CYS 17 -7.965 -3.679 -6.537 126 2HB CYS 17 2HB CYS 17 -9.469 -4.150 -7.285 127 HA PRO 18 HA PRO 18 -11.455 -8.640 -6.841 128 1HB PRO 18 1HB PRO 18 -13.721 -6.872 -7.508 129 2HB PRO 18 2HB PRO 18 -13.635 -8.197 -6.357 130 1HG PRO 18 1HG PRO 18 -13.705 -5.500 -5.672 131 2HG PRO 18 2HG PRO 18 -13.142 -6.785 -4.615 132 1HD PRO 18 1HD PRO 18 -11.566 -4.741 -6.062 133 2HD PRO 18 2HD PRO 18 -11.094 -5.718 -4.656 134 H ARG 19 H ARG 19 -12.637 -9.346 -8.784 135 HA ARG 19 HA ARG 19 -12.628 -9.778 -11.055 136 1HB ARG 19 1HB ARG 19 -13.030 -6.787 -10.796 137 2HB ARG 19 2HB ARG 19 -12.630 -7.343 -12.400 138 1HG ARG 19 1HG ARG 19 -14.899 -8.497 -10.743 139 2HG ARG 19 2HG ARG 19 -15.098 -7.220 -11.925 140 1HD ARG 19 1HD ARG 19 -14.205 -8.764 -13.714 141 2HD ARG 19 2HD ARG 19 -14.079 -10.046 -12.522 142 HE ARG 19 HE ARG 19 -16.399 -10.320 -12.580 143 1HH1 ARG 19 1HH1 ARG 19 -15.488 -7.349 -14.121 144 2HH1 ARG 19 2HH1 ARG 19 -17.075 -7.061 -14.748 145 1HH2 ARG 19 1HH2 ARG 19 -18.410 -9.971 -13.364 146 2HH2 ARG 19 2HH2 ARG 19 -18.753 -8.563 -14.313 147 H SER 20 H SER 20 -10.181 -9.722 -9.707 148 HA SER 20 HA SER 20 -7.889 -9.789 -10.004 149 1HB SER 20 1HB SER 20 -8.786 -10.241 -12.921 150 2HB SER 20 2HB SER 20 -7.192 -10.661 -12.273 151 HG SER 20 HG SER 20 -9.703 -11.568 -11.325 152 H GLU 21 H GLU 21 -8.503 -7.375 -9.611 153 HA GLU 21 HA GLU 21 -7.631 -5.551 -11.657 154 1HB GLU 21 1HB GLU 21 -9.457 -5.063 -9.962 155 2HB GLU 21 2HB GLU 21 -8.226 -5.061 -8.720 156 1HG GLU 21 1HG GLU 21 -8.329 -3.155 -11.101 157 2HG GLU 21 2HG GLU 21 -8.855 -2.754 -9.479 158 H GLU 22 H GLU 22 -5.560 -5.330 -12.027 159 HA GLU 22 HA GLU 22 -3.271 -5.038 -11.792 160 1HB GLU 22 1HB GLU 22 -4.288 -3.851 -9.474 161 2HB GLU 22 2HB GLU 22 -3.206 -5.036 -8.810 162 1HG GLU 22 1HG GLU 22 -1.331 -4.113 -10.079 163 2HG GLU 22 2HG GLU 22 -2.405 -3.033 -10.957 164 H LYS 23 H LYS 23 -2.119 -6.748 -12.289 165 HA LYS 23 HA LYS 23 -2.445 -9.318 -11.054 166 1HB LYS 23 1HB LYS 23 -1.340 -10.036 -12.918 167 2HB LYS 23 2HB LYS 23 -1.579 -8.407 -13.492 168 1HG LYS 23 1HG LYS 23 0.720 -7.814 -12.649 169 2HG LYS 23 2HG LYS 23 0.946 -9.496 -12.184 170 1HD LYS 23 1HD LYS 23 0.508 -10.215 -14.537 171 2HD LYS 23 2HD LYS 23 0.280 -8.543 -15.011 172 1HE LYS 23 1HE LYS 23 2.863 -9.719 -13.918 173 2HE LYS 23 2HE LYS 23 2.547 -9.315 -15.594 174 1HZ LYS 23 1HZ LYS 23 1.924 -7.049 -14.194 175 2HZ LYS 23 2HZ LYS 23 3.344 -7.632 -13.467 176 3HZ LYS 23 3HZ LYS 23 3.311 -7.323 -15.135 177 H LYS 24 H LYS 24 -0.809 -10.505 -9.924 178 HA LYS 24 HA LYS 24 0.740 -8.801 -8.054 179 1HB LYS 24 1HB LYS 24 0.313 -11.821 -7.797 180 2HB LYS 24 2HB LYS 24 0.709 -10.677 -6.538 181 1HG LYS 24 1HG LYS 24 -1.518 -10.896 -6.081 182 2HG LYS 24 2HG LYS 24 -1.604 -9.592 -7.252 183 1HD LYS 24 1HD LYS 24 -2.122 -11.232 -9.079 184 2HD LYS 24 2HD LYS 24 -1.972 -12.544 -7.933 185 1HE LYS 24 1HE LYS 24 -4.030 -10.301 -7.783 186 2HE LYS 24 2HE LYS 24 -4.338 -11.935 -8.343 187 1HZ LYS 24 1HZ LYS 24 -3.639 -12.749 -6.159 188 2HZ LYS 24 2HZ LYS 24 -3.480 -11.145 -5.622 189 3HZ LYS 24 3HZ LYS 24 -5.003 -11.739 -6.084 190 H ASN 25 H ASN 25 1.996 -8.577 -10.217 191 HA ASN 25 HA ASN 25 4.551 -9.875 -9.788 192 1HB ASN 25 1HB ASN 25 2.677 -10.873 -11.890 193 2HB ASN 25 2HB ASN 25 4.261 -10.488 -12.535 194 1HD2 ASN 25 2HD2 ASN 25 2.486 -12.791 -10.694 195 2HD2 ASN 25 1HD2 ASN 25 3.797 -13.792 -10.294 196 H ASP 26 H ASP 26 3.496 -7.275 -9.737 197 HA ASP 26 HA ASP 26 5.462 -5.892 -11.391 198 1HB ASP 26 1HB ASP 26 2.769 -6.139 -12.383 199 2HB ASP 26 2HB ASP 26 2.893 -4.501 -11.793 200 H ARG 27 H ARG 27 6.395 -4.801 -9.835 201 HA ARG 27 HA ARG 27 4.932 -3.804 -7.505 202 1HB ARG 27 1HB ARG 27 7.103 -4.725 -7.075 203 2HB ARG 27 2HB ARG 27 7.848 -3.823 -8.372 204 1HG ARG 27 1HG ARG 27 6.632 -1.980 -6.421 205 2HG ARG 27 2HG ARG 27 7.711 -3.092 -5.620 206 1HD ARG 27 1HD ARG 27 9.575 -2.423 -7.010 207 2HD ARG 27 2HD ARG 27 8.532 -1.484 -8.070 208 HE ARG 27 HE ARG 27 8.588 -0.775 -5.185 209 1HH1 ARG 27 1HH1 ARG 27 9.511 -0.019 -8.456 210 2HH1 ARG 27 2HH1 ARG 27 9.901 1.619 -8.067 211 1HH2 ARG 27 1HH2 ARG 27 9.083 1.288 -4.699 212 2HH2 ARG 27 2HH2 ARG 27 9.660 2.370 -5.922 213 H ILE 28 H ILE 28 3.521 -2.388 -8.609 214 HA ILE 28 HA ILE 28 4.324 -0.216 -10.236 215 HB ILE 28 HB ILE 28 1.883 0.137 -8.565 216 1HG1 ILE 28 1HG1 ILE 28 0.727 -1.485 -10.449 217 2HG1 ILE 28 2HG1 ILE 28 2.281 -2.284 -10.360 218 1HG2 ILE 28 1HG2 ILE 28 2.403 0.294 -11.515 219 2HG2 ILE 28 2HG2 ILE 28 0.886 0.712 -10.718 220 3HG2 ILE 28 3HG2 ILE 28 2.329 1.650 -10.391 221 1HD1 ILE 28 1HD1 ILE 28 1.987 -2.497 -7.901 222 2HD1 ILE 28 2HD1 ILE 28 0.436 -1.702 -8.023 223 3HD1 ILE 28 3HD1 ILE 28 0.678 -3.273 -8.779 224 H CYS 29 H CYS 29 3.721 2.062 -9.507 225 HA CYS 29 HA CYS 29 5.161 2.701 -6.978 226 1HB CYS 29 1HB CYS 29 6.135 3.606 -9.033 227 2HB CYS 29 2HB CYS 29 4.614 4.330 -9.480 228 H THR 30 H THR 30 3.551 2.607 -5.483 229 HA THR 30 HA THR 30 1.553 4.773 -5.539 230 HB THR 30 HB THR 30 0.349 2.867 -6.656 231 HG1 THR 30 HG1 THR 30 -0.451 3.198 -3.955 232 1HG2 THR 30 1HG2 THR 30 1.613 0.965 -5.488 233 2HG2 THR 30 2HG2 THR 30 0.791 1.396 -3.996 234 3HG2 THR 30 3HG2 THR 30 -0.131 0.806 -5.368 235 H ASN 31 H ASN 31 0.372 4.944 -3.560 236 HA ASN 31 HA ASN 31 1.940 4.148 -1.147 237 1HB ASN 31 1HB ASN 31 2.081 6.600 -1.726 238 2HB ASN 31 2HB ASN 31 0.334 6.692 -1.681 239 1HD2 ASN 31 2HD2 ASN 31 0.327 8.228 0.009 240 2HD2 ASN 31 1HD2 ASN 31 0.792 7.841 1.594 241 H CYS 32 H CYS 32 0.626 4.009 0.848 242 HA CYS 32 HA CYS 32 -1.621 2.285 0.527 243 1HB CYS 32 1HB CYS 32 -0.402 2.190 2.613 244 2HB CYS 32 2HB CYS 32 -0.623 3.898 2.898 245 H CYS 33 H CYS 33 -1.401 5.665 1.452 246 HA CYS 33 HA CYS 33 -4.162 6.248 1.728 247 1HB CYS 33 1HB CYS 33 -2.321 7.714 2.463 248 2HB CYS 33 2HB CYS 33 -1.867 8.002 0.811 249 H ALA 34 H ALA 34 -2.005 6.462 -1.040 250 HA ALA 34 HA ALA 34 -3.791 7.533 -2.956 251 1HB ALA 34 1HB ALA 34 -1.353 7.336 -3.299 252 2HB ALA 34 2HB ALA 34 -1.482 5.589 -3.377 253 3HB ALA 34 3HB ALA 34 -2.216 6.575 -4.630 254 H GLY 35 H GLY 35 -3.014 4.128 -2.290 255 1HA GLY 35 1HA GLY 35 -4.666 2.915 -4.141 256 2HA GLY 35 2HA GLY 35 -4.214 2.172 -2.615 257 H THR 36 H THR 36 -6.808 2.156 -4.047 258 HA THR 36 HA THR 36 -8.575 3.776 -2.374 259 HB THR 36 HB THR 36 -9.713 1.525 -3.942 260 HG1 THR 36 HG1 THR 36 -8.040 2.444 -5.257 261 1HG2 THR 36 1HG2 THR 36 -11.241 3.277 -2.911 262 2HG2 THR 36 2HG2 THR 36 -10.435 4.497 -3.879 263 3HG2 THR 36 3HG2 THR 36 -11.350 3.226 -4.655 264 H LYS 37 H LYS 37 -10.467 2.700 -1.432 265 HA LYS 37 HA LYS 37 -9.603 0.858 0.662 266 1HB LYS 37 1HB LYS 37 -11.142 2.348 1.542 267 2HB LYS 37 2HB LYS 37 -12.005 2.509 0.028 268 1HG LYS 37 1HG LYS 37 -13.220 0.434 0.415 269 2HG LYS 37 2HG LYS 37 -12.215 0.041 1.795 270 1HD LYS 37 1HD LYS 37 -14.414 0.877 2.521 271 2HD LYS 37 2HD LYS 37 -13.142 1.945 3.060 272 1HE LYS 37 1HE LYS 37 -14.769 2.468 0.535 273 2HE LYS 37 2HE LYS 37 -15.216 3.101 2.111 274 1HZ LYS 37 1HZ LYS 37 -12.571 3.742 1.812 275 2HZ LYS 37 2HZ LYS 37 -13.261 4.039 0.290 276 3HZ LYS 37 3HZ LYS 37 -13.899 4.789 1.674 277 H GLY 38 H GLY 38 -10.239 -1.222 0.974 278 1HA GLY 38 1HA GLY 38 -11.389 -3.258 0.500 279 2HA GLY 38 2HA GLY 38 -11.873 -2.612 -1.063 280 H CYS 39 H CYS 39 -9.264 -1.696 -1.891 281 HA CYS 39 HA CYS 39 -8.202 -4.226 -2.843 282 1HB CYS 39 1HB CYS 39 -6.908 -1.538 -3.040 283 2HB CYS 39 2HB CYS 39 -6.681 -2.888 -4.085 284 H LYS 40 H LYS 40 -6.279 -5.124 -2.296 285 HA LYS 40 HA LYS 40 -5.028 -4.299 0.286 286 1HB LYS 40 1HB LYS 40 -5.162 -6.976 -1.106 287 2HB LYS 40 2HB LYS 40 -4.254 -6.684 0.368 288 1HG LYS 40 1HG LYS 40 -6.364 -5.857 1.468 289 2HG LYS 40 2HG LYS 40 -7.256 -6.237 0.006 290 1HD LYS 40 1HD LYS 40 -6.620 -8.628 0.226 291 2HD LYS 40 2HD LYS 40 -5.710 -8.255 1.681 292 1HE LYS 40 1HE LYS 40 -7.795 -7.438 2.778 293 2HE LYS 40 2HE LYS 40 -8.708 -7.821 1.323 294 1HZ LYS 40 1HZ LYS 40 -8.066 -10.127 1.570 295 2HZ LYS 40 2HZ LYS 40 -7.196 -9.753 2.980 296 3HZ LYS 40 3HZ LYS 40 -8.884 -9.565 2.949 297 H TYR 41 H TYR 41 -3.223 -3.267 0.204 298 HA TYR 41 HA TYR 41 -1.334 -3.654 -2.004 299 1HB TYR 41 1HB TYR 41 -1.719 -1.438 0.040 300 2HB TYR 41 2HB TYR 41 -0.438 -1.479 -1.145 301 HD1 TYR 41 HD1 TYR 41 -0.957 -1.159 -3.562 302 HD2 TYR 41 HD2 TYR 41 -4.040 -1.144 -0.632 303 HE1 TYR 41 HE1 TYR 41 -2.520 -0.232 -5.208 304 HE2 TYR 41 HE2 TYR 41 -5.596 -0.210 -2.266 305 HH TYR 41 HH TYR 41 -4.679 1.176 -5.108 306 H PHE 42 H PHE 42 0.332 -4.805 -1.649 307 HA PHE 42 HA PHE 42 1.472 -5.178 1.055 308 1HB PHE 42 1HB PHE 42 2.234 -7.406 -0.507 309 2HB PHE 42 2HB PHE 42 1.056 -7.354 0.771 310 HD1 PHE 42 HD1 PHE 42 1.137 -6.439 -2.893 311 HD2 PHE 42 HD2 PHE 42 -0.956 -8.216 0.366 312 HE1 PHE 42 HE1 PHE 42 -0.706 -7.098 -4.398 313 HE2 PHE 42 HE2 PHE 42 -2.777 -8.869 -1.145 314 HZ PHE 42 HZ PHE 42 -2.632 -8.316 -3.524 315 H SER 43 H SER 43 3.599 -5.747 1.202 316 HA SER 43 HA SER 43 5.437 -4.117 -0.244 317 1HB SER 43 1HB SER 43 5.833 -6.306 1.817 318 2HB SER 43 2HB SER 43 6.986 -5.070 1.355 319 HG SER 43 HG SER 43 6.055 -3.836 2.731 320 H ASP 44 H ASP 44 7.593 -5.266 -0.595 321 HA ASP 44 HA ASP 44 7.193 -7.233 -2.780 322 1HB ASP 44 1HB ASP 44 8.766 -4.935 -2.606 323 2HB ASP 44 2HB ASP 44 9.948 -6.195 -2.321 324 H ASP 45 H ASP 45 8.794 -6.839 0.279 325 HA ASP 45 HA ASP 45 10.328 -9.293 0.210 326 1HB ASP 45 1HB ASP 45 10.804 -8.816 2.558 327 2HB ASP 45 2HB ASP 45 10.857 -7.299 1.683 328 H GLY 46 H GLY 46 7.055 -8.789 0.394 329 1HA GLY 46 1HA GLY 46 5.378 -10.319 0.586 330 2HA GLY 46 2HA GLY 46 6.519 -11.494 1.276 331 H THR 47 H THR 47 5.024 -8.354 1.961 332 HA THR 47 HA THR 47 4.215 -9.141 4.580 333 HB THR 47 HB THR 47 6.134 -6.809 4.077 334 HG1 THR 47 HG1 THR 47 7.283 -8.645 4.173 335 1HG2 THR 47 1HG2 THR 47 5.036 -7.902 6.743 336 2HG2 THR 47 2HG2 THR 47 6.159 -6.561 6.580 337 3HG2 THR 47 3HG2 THR 47 4.503 -6.389 6.027 338 H PHE 48 H PHE 48 2.116 -8.615 4.368 339 HA PHE 48 HA PHE 48 1.055 -6.695 2.577 340 1HB PHE 48 1HB PHE 48 -0.319 -8.490 3.536 341 2HB PHE 48 2HB PHE 48 -0.097 -7.841 5.152 342 HD1 PHE 48 HD1 PHE 48 -1.178 -6.449 1.783 343 HD2 PHE 48 HD2 PHE 48 -1.934 -6.730 5.971 344 HE1 PHE 48 HE1 PHE 48 -3.151 -5.023 1.538 345 HE2 PHE 48 HE2 PHE 48 -3.906 -5.302 5.712 346 HZ PHE 48 HZ PHE 48 -4.517 -4.448 3.504 347 H VAL 49 H VAL 49 0.573 -4.571 2.702 348 HA VAL 49 HA VAL 49 1.667 -3.114 5.072 349 HB VAL 49 HB VAL 49 0.991 -1.983 2.324 350 1HG1 VAL 49 1HG1 VAL 49 2.693 -0.917 4.625 351 2HG1 VAL 49 2HG1 VAL 49 2.473 -0.121 3.079 352 3HG1 VAL 49 3HG1 VAL 49 1.113 -0.303 4.168 353 1HG2 VAL 49 1HG2 VAL 49 3.642 -2.971 3.436 354 2HG2 VAL 49 2HG2 VAL 49 2.749 -3.714 2.125 355 3HG2 VAL 49 3HG2 VAL 49 3.448 -2.122 1.910 356 H CYS 50 H CYS 50 -1.079 -2.580 2.759 357 HA CYS 50 HA CYS 50 -2.936 -2.347 4.998 358 1HB CYS 50 1HB CYS 50 -3.183 -0.058 5.197 359 2HB CYS 50 2HB CYS 50 -1.540 -0.011 4.623 360 H GLU 51 H GLU 51 -5.126 -1.751 4.234 361 HA GLU 51 HA GLU 51 -5.453 -2.834 1.500 362 1HB GLU 51 1HB GLU 51 -6.793 -4.047 3.044 363 2HB GLU 51 2HB GLU 51 -7.191 -2.626 3.979 364 1HG GLU 51 1HG GLU 51 -8.923 -1.959 2.503 365 2HG GLU 51 2HG GLU 51 -8.302 -2.916 1.168 366 H GLY 52 H GLY 52 -4.378 -0.585 1.219 367 1HA GLY 52 1HA GLY 52 -4.506 1.541 0.286 368 2HA GLY 52 2HA GLY 52 -6.014 1.008 -0.392 369 H GLU 53 H GLU 53 -7.538 2.267 0.008 370 HA GLU 53 HA GLU 53 -9.259 3.308 1.180 371 1HB GLU 53 1HB GLU 53 -8.397 2.661 3.482 372 2HB GLU 53 2HB GLU 53 -7.186 3.929 3.387 373 1HG GLU 53 1HG GLU 53 -9.211 4.577 4.725 374 2HG GLU 53 2HG GLU 53 -8.822 5.694 3.441 375 H SER 54 H SER 54 -8.840 4.301 -0.713 376 HA SER 54 HA SER 54 -7.203 6.278 -1.551 377 1HB SER 54 1HB SER 54 -9.259 7.367 -2.684 378 2HB SER 54 2HB SER 54 -8.992 5.660 -3.014 379 HG SER 54 HG SER 54 -10.423 5.187 -1.299 Start of MODEL 7 1 1H MET 1 1H MET 1 -7.371 11.927 5.935 2 2H MET 1 2H MET 1 -6.666 12.384 7.412 3 3H MET 1 3H MET 1 -7.087 13.567 6.269 4 HA MET 1 HA MET 1 -4.902 13.462 5.823 5 1HB MET 1 1HB MET 1 -3.522 11.425 6.173 6 2HB MET 1 2HB MET 1 -4.467 11.763 7.606 7 1HG MET 1 1HG MET 1 -5.142 9.711 5.476 8 2HG MET 1 2HG MET 1 -4.492 9.366 7.046 9 1HE MET 1 1HE MET 1 -5.873 10.463 9.248 10 2HE MET 1 2HE MET 1 -7.325 9.506 9.456 11 3HE MET 1 3HE MET 1 -5.825 8.695 9.033 12 H LYS 2 H LYS 2 -7.377 12.656 4.276 13 HA LYS 2 HA LYS 2 -6.346 10.996 2.085 14 1HB LYS 2 1HB LYS 2 -8.963 12.545 2.335 15 2HB LYS 2 2HB LYS 2 -8.575 11.367 1.094 16 1HG LYS 2 1HG LYS 2 -8.198 9.674 3.025 17 2HG LYS 2 2HG LYS 2 -8.850 10.886 4.091 18 1HD LYS 2 1HD LYS 2 -10.594 9.266 3.440 19 2HD LYS 2 2HD LYS 2 -10.994 10.884 2.905 20 1HE LYS 2 1HE LYS 2 -11.424 9.101 1.166 21 2HE LYS 2 2HE LYS 2 -10.336 10.344 0.590 22 1HZ LYS 2 1HZ LYS 2 -8.574 8.651 1.581 23 2HZ LYS 2 2HZ LYS 2 -9.822 7.555 1.231 24 3HZ LYS 2 3HZ LYS 2 -9.176 8.526 0.002 25 H ALA 3 H ALA 3 -4.553 12.382 1.641 26 HA ALA 3 HA ALA 3 -4.823 13.915 -0.636 27 1HB ALA 3 1HB ALA 3 -4.252 15.531 1.935 28 2HB ALA 3 2HB ALA 3 -4.144 16.202 0.315 29 3HB ALA 3 3HB ALA 3 -5.699 15.720 0.960 30 H CYS 4 H CYS 4 -3.459 11.914 -0.349 31 HA CYS 4 HA CYS 4 -0.743 12.280 0.636 32 1HB CYS 4 1HB CYS 4 -1.953 10.088 -1.051 33 2HB CYS 4 2HB CYS 4 -0.458 10.000 -0.175 34 H THR 5 H THR 5 1.110 11.812 -0.782 35 HA THR 5 HA THR 5 1.161 13.589 -3.035 36 HB THR 5 HB THR 5 3.313 11.555 -2.174 37 HG1 THR 5 HG1 THR 5 2.462 14.078 -1.184 38 1HG2 THR 5 1HG2 THR 5 3.669 13.050 -4.249 39 2HG2 THR 5 2HG2 THR 5 3.419 14.435 -3.193 40 3HG2 THR 5 3HG2 THR 5 4.794 13.364 -2.927 41 H LEU 6 H LEU 6 0.247 10.407 -2.624 42 HA LEU 6 HA LEU 6 -0.496 8.741 -4.021 43 1HB LEU 6 1HB LEU 6 0.078 10.598 -6.377 44 2HB LEU 6 2HB LEU 6 -1.036 9.255 -6.324 45 HG LEU 6 HG LEU 6 -1.350 11.857 -4.760 46 1HD1 LEU 6 1HD1 LEU 6 -2.898 10.744 -7.130 47 2HD1 LEU 6 2HD1 LEU 6 -3.281 12.225 -6.268 48 3HD1 LEU 6 3HD1 LEU 6 -1.785 12.101 -7.176 49 1HD2 LEU 6 1HD2 LEU 6 -3.218 9.449 -4.921 50 2HD2 LEU 6 2HD2 LEU 6 -2.309 9.942 -3.500 51 3HD2 LEU 6 3HD2 LEU 6 -3.580 10.971 -4.123 52 H ASN 7 H ASN 7 2.605 9.913 -4.084 53 HA ASN 7 HA ASN 7 3.854 8.557 -6.134 54 1HB ASN 7 1HB ASN 7 4.879 9.413 -3.406 55 2HB ASN 7 2HB ASN 7 5.933 8.880 -4.702 56 1HD2 ASN 7 1HD2 ASN 7 3.407 10.539 -6.213 57 2HD2 ASN 7 2HD2 ASN 7 4.133 12.070 -6.280 58 H CYS 8 H CYS 8 5.756 7.006 -5.447 59 HA CYS 8 HA CYS 8 4.460 4.506 -4.558 60 1HB CYS 8 1HB CYS 8 7.307 4.339 -5.185 61 2HB CYS 8 2HB CYS 8 5.970 3.461 -5.844 62 H ASP 9 H ASP 9 4.770 3.655 -2.564 63 HA ASP 9 HA ASP 9 6.592 5.070 -0.708 64 1HB ASP 9 1HB ASP 9 4.320 4.645 0.063 65 2HB ASP 9 2HB ASP 9 4.468 2.947 -0.281 66 HA PRO 10 HA PRO 10 9.757 2.287 -1.828 67 1HB PRO 10 1HB PRO 10 11.195 2.314 0.661 68 2HB PRO 10 2HB PRO 10 11.503 3.286 -0.769 69 1HG PRO 10 1HG PRO 10 10.222 4.072 1.747 70 2HG PRO 10 2HG PRO 10 10.842 5.095 0.460 71 1HD PRO 10 1HD PRO 10 8.112 4.640 1.030 72 2HD PRO 10 2HD PRO 10 8.747 5.352 -0.465 73 H ARG 11 H ARG 11 8.225 1.752 1.210 74 HA ARG 11 HA ARG 11 8.995 -1.030 1.495 75 1HB ARG 11 1HB ARG 11 8.643 0.052 3.509 76 2HB ARG 11 2HB ARG 11 7.313 1.001 2.947 77 1HG ARG 11 1HG ARG 11 6.191 -1.541 2.873 78 2HG ARG 11 2HG ARG 11 7.383 -1.742 4.141 79 1HD ARG 11 1HD ARG 11 5.198 -0.960 5.015 80 2HD ARG 11 2HD ARG 11 6.428 0.271 5.301 81 HE ARG 11 HE ARG 11 5.233 0.772 2.771 82 1HH1 ARG 11 1HH1 ARG 11 4.410 0.777 6.133 83 2HH1 ARG 11 2HH1 ARG 11 3.201 2.003 5.951 84 1HH2 ARG 11 1HH2 ARG 11 3.716 2.324 2.513 85 2HH2 ARG 11 2HH2 ARG 11 2.797 2.892 3.868 86 H ILE 12 H ILE 12 6.241 0.769 0.221 87 HA ILE 12 HA ILE 12 4.550 -1.566 -0.145 88 HB ILE 12 HB ILE 12 4.414 1.214 -1.371 89 1HG1 ILE 12 1HG1 ILE 12 4.164 1.052 1.149 90 2HG1 ILE 12 2HG1 ILE 12 2.787 1.763 0.346 91 1HG2 ILE 12 1HG2 ILE 12 2.306 -0.981 -1.455 92 2HG2 ILE 12 2HG2 ILE 12 2.041 0.687 -1.936 93 3HG2 ILE 12 3HG2 ILE 12 3.174 -0.310 -2.822 94 1HD1 ILE 12 1HD1 ILE 12 3.000 -1.101 1.288 95 2HD1 ILE 12 2HD1 ILE 12 2.100 0.197 2.067 96 3HD1 ILE 12 3HD1 ILE 12 1.595 -0.393 0.496 97 H ALA 13 H ALA 13 4.183 -2.737 -1.889 98 HA ALA 13 HA ALA 13 6.085 -2.487 -4.176 99 1HB ALA 13 1HB ALA 13 4.527 -4.934 -3.211 100 2HB ALA 13 2HB ALA 13 5.645 -4.903 -4.562 101 3HB ALA 13 3HB ALA 13 6.236 -4.622 -2.942 102 H TYR 14 H TYR 14 2.853 -3.768 -3.508 103 HA TYR 14 HA TYR 14 1.572 -2.013 -5.437 104 1HB TYR 14 1HB TYR 14 0.953 -3.811 -7.099 105 2HB TYR 14 2HB TYR 14 2.686 -3.559 -7.019 106 HD1 TYR 14 HD1 TYR 14 -0.045 -5.846 -5.988 107 HD2 TYR 14 HD2 TYR 14 4.166 -5.270 -6.209 108 HE1 TYR 14 HE1 TYR 14 0.309 -8.194 -5.450 109 HE2 TYR 14 HE2 TYR 14 4.519 -7.622 -5.675 110 HH TYR 14 HH TYR 14 3.341 -9.732 -5.779 111 H GLY 15 H GLY 15 -0.671 -3.362 -6.040 112 1HA GLY 15 1HA GLY 15 -1.705 -4.653 -3.617 113 2HA GLY 15 2HA GLY 15 -2.464 -3.116 -4.033 114 H VAL 16 H VAL 16 -3.699 -5.620 -3.854 115 HA VAL 16 HA VAL 16 -4.890 -5.812 -6.574 116 HB VAL 16 HB VAL 16 -3.654 -8.156 -5.050 117 1HG1 VAL 16 1HG1 VAL 16 -5.546 -8.305 -7.422 118 2HG1 VAL 16 2HG1 VAL 16 -4.674 -9.669 -6.750 119 3HG1 VAL 16 3HG1 VAL 16 -5.908 -8.874 -5.800 120 1HG2 VAL 16 1HG2 VAL 16 -3.264 -7.161 -7.898 121 2HG2 VAL 16 2HG2 VAL 16 -2.116 -6.981 -6.582 122 3HG2 VAL 16 3HG2 VAL 16 -2.485 -8.574 -7.202 123 H CYS 17 H CYS 17 -7.007 -6.269 -6.564 124 HA CYS 17 HA CYS 17 -8.391 -6.525 -3.940 125 1HB CYS 17 1HB CYS 17 -10.078 -5.631 -6.145 126 2HB CYS 17 2HB CYS 17 -9.734 -4.843 -4.631 127 HA PRO 18 HA PRO 18 -10.637 -10.179 -5.128 128 1HB PRO 18 1HB PRO 18 -13.312 -8.981 -4.980 129 2HB PRO 18 2HB PRO 18 -12.572 -10.173 -3.925 130 1HG PRO 18 1HG PRO 18 -13.056 -7.483 -3.283 131 2HG PRO 18 2HG PRO 18 -12.015 -8.578 -2.387 132 1HD PRO 18 1HD PRO 18 -11.267 -6.349 -4.159 133 2HD PRO 18 2HD PRO 18 -10.268 -7.197 -2.965 134 H ARG 19 H ARG 19 -12.207 -11.040 -6.722 135 HA ARG 19 HA ARG 19 -12.726 -11.394 -8.938 136 1HB ARG 19 1HB ARG 19 -13.394 -8.406 -9.000 137 2HB ARG 19 2HB ARG 19 -14.155 -9.681 -9.937 138 1HG ARG 19 1HG ARG 19 -15.024 -10.704 -7.836 139 2HG ARG 19 2HG ARG 19 -14.285 -9.420 -6.901 140 1HD ARG 19 1HD ARG 19 -15.688 -7.742 -8.143 141 2HD ARG 19 2HD ARG 19 -16.484 -9.088 -8.955 142 HE ARG 19 HE ARG 19 -17.562 -9.661 -6.949 143 1HH1 ARG 19 1HH1 ARG 19 -15.115 -7.260 -6.403 144 2HH1 ARG 19 2HH1 ARG 19 -15.637 -6.936 -4.786 145 1HH2 ARG 19 1HH2 ARG 19 -18.231 -9.265 -4.901 146 2HH2 ARG 19 2HH2 ARG 19 -17.422 -8.088 -3.920 147 H SER 20 H SER 20 -10.076 -10.538 -8.288 148 HA SER 20 HA SER 20 -8.944 -10.355 -10.926 149 1HB SER 20 1HB SER 20 -7.768 -8.090 -10.526 150 2HB SER 20 2HB SER 20 -9.515 -7.923 -10.713 151 HG SER 20 HG SER 20 -7.954 -7.879 -8.379 152 H GLU 21 H GLU 21 -7.674 -12.044 -10.401 153 HA GLU 21 HA GLU 21 -6.310 -12.307 -7.906 154 1HB GLU 21 1HB GLU 21 -5.921 -13.777 -10.544 155 2HB GLU 21 2HB GLU 21 -5.207 -14.273 -9.020 156 1HG GLU 21 1HG GLU 21 -7.494 -14.520 -8.032 157 2HG GLU 21 2HG GLU 21 -8.206 -14.044 -9.565 158 H GLU 22 H GLU 22 -5.545 -11.159 -11.075 159 HA GLU 22 HA GLU 22 -3.800 -9.974 -11.984 160 1HB GLU 22 1HB GLU 22 -4.221 -8.896 -9.436 161 2HB GLU 22 2HB GLU 22 -2.513 -9.258 -9.384 162 1HG GLU 22 1HG GLU 22 -2.811 -6.976 -10.205 163 2HG GLU 22 2HG GLU 22 -2.204 -7.961 -11.522 164 H LYS 23 H LYS 23 -1.407 -9.684 -12.024 165 HA LYS 23 HA LYS 23 -0.168 -12.298 -12.019 166 1HB LYS 23 1HB LYS 23 0.521 -9.543 -13.007 167 2HB LYS 23 2HB LYS 23 1.872 -10.608 -12.693 168 1HG LYS 23 1HG LYS 23 1.207 -10.843 -15.025 169 2HG LYS 23 2HG LYS 23 0.869 -12.338 -14.176 170 1HD LYS 23 1HD LYS 23 -1.536 -11.677 -13.964 171 2HD LYS 23 2HD LYS 23 -1.193 -10.158 -14.772 172 1HE LYS 23 1HE LYS 23 -2.137 -11.797 -16.365 173 2HE LYS 23 2HE LYS 23 -0.474 -11.437 -16.806 174 1HZ LYS 23 1HZ LYS 23 -1.156 -13.722 -15.069 175 2HZ LYS 23 2HZ LYS 23 -1.175 -13.846 -16.763 176 3HZ LYS 23 3HZ LYS 23 0.266 -13.450 -15.956 177 H LYS 24 H LYS 24 -0.081 -9.412 -10.149 178 HA LYS 24 HA LYS 24 1.150 -8.677 -8.319 179 1HB LYS 24 1HB LYS 24 1.016 -10.820 -6.512 180 2HB LYS 24 2HB LYS 24 -0.240 -9.661 -6.851 181 1HG LYS 24 1HG LYS 24 -1.352 -11.148 -8.392 182 2HG LYS 24 2HG LYS 24 -0.056 -12.323 -8.272 183 1HD LYS 24 1HD LYS 24 -1.903 -13.060 -6.882 184 2HD LYS 24 2HD LYS 24 -0.551 -12.645 -5.857 185 1HE LYS 24 1HE LYS 24 -2.847 -10.721 -6.404 186 2HE LYS 24 2HE LYS 24 -2.835 -11.823 -5.043 187 1HZ LYS 24 1HZ LYS 24 -0.416 -10.562 -4.930 188 2HZ LYS 24 2HZ LYS 24 -1.508 -9.337 -5.371 189 3HZ LYS 24 3HZ LYS 24 -1.775 -10.244 -3.962 190 H ASN 25 H ASN 25 2.880 -9.097 -10.062 191 HA ASN 25 HA ASN 25 5.216 -10.095 -8.644 192 1HB ASN 25 1HB ASN 25 3.958 -11.474 -10.986 193 2HB ASN 25 2HB ASN 25 5.663 -11.158 -11.239 194 1HD2 ASN 25 2HD2 ASN 25 3.364 -12.837 -9.137 195 2HD2 ASN 25 1HD2 ASN 25 4.511 -13.865 -8.422 196 H ASP 26 H ASP 26 4.376 -7.594 -9.041 197 HA ASP 26 HA ASP 26 6.567 -6.376 -10.469 198 1HB ASP 26 1HB ASP 26 4.141 -6.818 -11.953 199 2HB ASP 26 2HB ASP 26 4.140 -5.112 -11.561 200 H ARG 27 H ARG 27 7.147 -4.899 -9.149 201 HA ARG 27 HA ARG 27 5.388 -3.782 -7.101 202 1HB ARG 27 1HB ARG 27 7.596 -4.359 -6.410 203 2HB ARG 27 2HB ARG 27 8.337 -3.569 -7.776 204 1HG ARG 27 1HG ARG 27 6.809 -1.607 -6.210 205 2HG ARG 27 2HG ARG 27 7.904 -2.472 -5.169 206 1HD ARG 27 1HD ARG 27 8.752 -1.085 -7.752 207 2HD ARG 27 2HD ARG 27 8.973 -0.434 -6.135 208 HE ARG 27 HE ARG 27 10.568 -2.505 -7.382 209 1HH1 ARG 27 1HH1 ARG 27 9.342 -1.353 -4.344 210 2HH1 ARG 27 2HH1 ARG 27 10.620 -2.082 -3.431 211 1HH2 ARG 27 1HH2 ARG 27 12.189 -3.425 -6.238 212 2HH2 ARG 27 2HH2 ARG 27 12.250 -3.268 -4.514 213 H ILE 28 H ILE 28 3.935 -2.727 -8.315 214 HA ILE 28 HA ILE 28 4.456 -0.718 -10.257 215 HB ILE 28 HB ILE 28 1.928 -0.589 -8.660 216 1HG1 ILE 28 1HG1 ILE 28 2.402 -2.857 -10.696 217 2HG1 ILE 28 2HG1 ILE 28 2.383 -3.181 -8.990 218 1HG2 ILE 28 1HG2 ILE 28 2.262 0.794 -10.670 219 2HG2 ILE 28 2HG2 ILE 28 2.555 -0.653 -11.620 220 3HG2 ILE 28 3HG2 ILE 28 0.965 -0.342 -10.940 221 1HD1 ILE 28 1HD1 ILE 28 0.073 -2.391 -8.789 222 2HD1 ILE 28 2HD1 ILE 28 0.007 -2.135 -10.528 223 3HD1 ILE 28 3HD1 ILE 28 0.240 -3.748 -9.887 224 H CYS 29 H CYS 29 3.421 1.576 -9.715 225 HA CYS 29 HA CYS 29 4.830 2.557 -7.284 226 1HB CYS 29 1HB CYS 29 5.451 3.648 -9.384 227 2HB CYS 29 2HB CYS 29 3.781 4.062 -9.694 228 H THR 30 H THR 30 3.599 2.623 -5.598 229 HA THR 30 HA THR 30 1.250 4.274 -5.427 230 HB THR 30 HB THR 30 0.106 2.332 -6.511 231 HG1 THR 30 HG1 THR 30 -0.643 3.414 -4.437 232 1HG2 THR 30 1HG2 THR 30 1.206 0.654 -4.191 233 2HG2 THR 30 2HG2 THR 30 0.144 0.089 -5.471 234 3HG2 THR 30 3HG2 THR 30 1.796 0.544 -5.842 235 H ASN 31 H ASN 31 0.234 4.033 -3.232 236 HA ASN 31 HA ASN 31 1.989 2.917 -1.151 237 1HB ASN 31 1HB ASN 31 2.163 5.165 0.015 238 2HB ASN 31 2HB ASN 31 3.016 5.097 -1.517 239 1HD2 ASN 31 2HD2 ASN 31 2.877 7.500 -1.415 240 2HD2 ASN 31 1HD2 ASN 31 1.460 8.263 -1.953 241 H CYS 32 H CYS 32 1.002 2.608 0.815 242 HA CYS 32 HA CYS 32 -1.774 2.128 0.818 243 1HB CYS 32 1HB CYS 32 -0.463 0.980 2.472 244 2HB CYS 32 2HB CYS 32 0.267 2.458 3.047 245 H CYS 33 H CYS 33 -0.040 4.995 1.663 246 HA CYS 33 HA CYS 33 -1.969 6.414 3.150 247 1HB CYS 33 1HB CYS 33 0.377 7.163 2.667 248 2HB CYS 33 2HB CYS 33 -0.094 7.523 1.029 249 H ALA 34 H ALA 34 -1.484 6.230 -0.336 250 HA ALA 34 HA ALA 34 -4.035 7.630 -0.872 251 1HB ALA 34 1HB ALA 34 -2.016 8.167 -2.243 252 2HB ALA 34 2HB ALA 34 -1.967 6.513 -2.820 253 3HB ALA 34 3HB ALA 34 -3.321 7.536 -3.236 254 H GLY 35 H GLY 35 -2.591 4.786 -2.370 255 1HA GLY 35 1HA GLY 35 -3.631 2.940 -3.385 256 2HA GLY 35 2HA GLY 35 -4.014 2.635 -1.707 257 H THR 36 H THR 36 -5.903 1.595 -2.150 258 HA THR 36 HA THR 36 -8.225 3.267 -2.832 259 HB THR 36 HB THR 36 -8.117 0.481 -3.903 260 HG1 THR 36 HG1 THR 36 -6.939 2.852 -4.931 261 1HG2 THR 36 1HG2 THR 36 -9.368 3.027 -5.060 262 2HG2 THR 36 2HG2 THR 36 -9.547 1.412 -5.720 263 3HG2 THR 36 3HG2 THR 36 -10.275 1.804 -4.181 264 H LYS 37 H LYS 37 -10.223 1.748 -2.421 265 HA LYS 37 HA LYS 37 -9.794 0.377 0.215 266 1HB LYS 37 1HB LYS 37 -12.579 1.063 -0.667 267 2HB LYS 37 2HB LYS 37 -11.871 1.159 0.932 268 1HG LYS 37 1HG LYS 37 -10.583 3.206 0.178 269 2HG LYS 37 2HG LYS 37 -11.432 3.091 -1.352 270 1HD LYS 37 1HD LYS 37 -12.834 3.437 1.323 271 2HD LYS 37 2HD LYS 37 -12.447 4.760 0.243 272 1HE LYS 37 1HE LYS 37 -13.846 3.703 -1.545 273 2HE LYS 37 2HE LYS 37 -14.269 2.405 -0.435 274 1HZ LYS 37 1HZ LYS 37 -15.232 4.026 1.051 275 2HZ LYS 37 2HZ LYS 37 -14.836 5.278 -0.026 276 3HZ LYS 37 3HZ LYS 37 -15.960 4.087 -0.482 277 H GLY 38 H GLY 38 -10.441 -1.700 0.416 278 1HA GLY 38 1HA GLY 38 -11.616 -3.702 -0.190 279 2HA GLY 38 2HA GLY 38 -11.877 -3.041 -1.808 280 H CYS 39 H CYS 39 -9.273 -2.149 -2.373 281 HA CYS 39 HA CYS 39 -7.975 -4.675 -3.040 282 1HB CYS 39 1HB CYS 39 -6.925 -1.879 -3.411 283 2HB CYS 39 2HB CYS 39 -6.470 -3.302 -4.288 284 H LYS 40 H LYS 40 -6.105 -5.336 -2.280 285 HA LYS 40 HA LYS 40 -5.158 -4.274 0.342 286 1HB LYS 40 1HB LYS 40 -4.986 -7.043 -0.876 287 2HB LYS 40 2HB LYS 40 -4.230 -6.583 0.636 288 1HG LYS 40 1HG LYS 40 -6.469 -5.942 1.555 289 2HG LYS 40 2HG LYS 40 -7.219 -6.335 0.024 290 1HD LYS 40 1HD LYS 40 -7.640 -8.203 1.449 291 2HD LYS 40 2HD LYS 40 -6.406 -8.731 0.330 292 1HE LYS 40 1HE LYS 40 -5.814 -7.720 3.147 293 2HE LYS 40 2HE LYS 40 -5.977 -9.415 2.727 294 1HZ LYS 40 1HZ LYS 40 -4.190 -8.597 0.923 295 2HZ LYS 40 2HZ LYS 40 -3.800 -7.601 2.243 296 3HZ LYS 40 3HZ LYS 40 -3.798 -9.289 2.424 297 H TYR 41 H TYR 41 -3.350 -3.148 0.294 298 HA TYR 41 HA TYR 41 -1.399 -3.514 -1.844 299 1HB TYR 41 1HB TYR 41 -1.826 -1.353 0.252 300 2HB TYR 41 2HB TYR 41 -0.490 -1.373 -0.864 301 HD1 TYR 41 HD1 TYR 41 -4.219 -1.428 -0.732 302 HD2 TYR 41 HD2 TYR 41 -0.778 -0.547 -3.083 303 HE1 TYR 41 HE1 TYR 41 -5.646 -0.409 -2.434 304 HE2 TYR 41 HE2 TYR 41 -2.214 0.468 -4.789 305 HH TYR 41 HH TYR 41 -5.083 1.537 -4.370 306 H PHE 42 H PHE 42 0.221 -4.734 -1.541 307 HA PHE 42 HA PHE 42 1.379 -5.252 1.117 308 1HB PHE 42 1HB PHE 42 2.208 -7.173 -0.914 309 2HB PHE 42 2HB PHE 42 1.346 -7.428 0.576 310 HD1 PHE 42 HD1 PHE 42 0.794 -6.500 -3.000 311 HD2 PHE 42 HD2 PHE 42 -0.910 -8.020 0.595 312 HE1 PHE 42 HE1 PHE 42 -1.260 -7.107 -4.217 313 HE2 PHE 42 HE2 PHE 42 -2.953 -8.623 -0.622 314 HZ PHE 42 HZ PHE 42 -3.130 -8.169 -3.024 315 H SER 43 H SER 43 3.523 -5.450 1.355 316 HA SER 43 HA SER 43 5.166 -3.610 -0.036 317 1HB SER 43 1HB SER 43 5.679 -5.649 2.150 318 2HB SER 43 2HB SER 43 6.825 -4.440 1.651 319 HG SER 43 HG SER 43 5.085 -2.886 1.966 320 H ASP 44 H ASP 44 7.479 -4.362 -0.165 321 HA ASP 44 HA ASP 44 7.698 -6.178 -2.471 322 1HB ASP 44 1HB ASP 44 8.979 -3.793 -1.743 323 2HB ASP 44 2HB ASP 44 10.198 -4.984 -1.343 324 H ASP 45 H ASP 45 8.422 -6.038 0.868 325 HA ASP 45 HA ASP 45 10.238 -8.280 1.029 326 1HB ASP 45 1HB ASP 45 10.182 -6.513 2.755 327 2HB ASP 45 2HB ASP 45 8.504 -6.869 3.112 328 H GLY 46 H GLY 46 7.016 -8.140 0.245 329 1HA GLY 46 1HA GLY 46 5.446 -9.751 -0.081 330 2HA GLY 46 2HA GLY 46 6.619 -10.964 0.481 331 H THR 47 H THR 47 4.905 -8.144 1.753 332 HA THR 47 HA THR 47 3.669 -9.613 3.859 333 HB THR 47 HB THR 47 5.708 -7.381 4.358 334 HG1 THR 47 HG1 THR 47 6.897 -8.994 5.159 335 1HG2 THR 47 1HG2 THR 47 4.058 -9.004 6.404 336 2HG2 THR 47 2HG2 THR 47 5.243 -7.771 6.803 337 3HG2 THR 47 3HG2 THR 47 3.733 -7.318 6.034 338 H PHE 48 H PHE 48 1.694 -8.931 3.852 339 HA PHE 48 HA PHE 48 0.696 -6.726 2.399 340 1HB PHE 48 1HB PHE 48 -0.699 -8.649 2.932 341 2HB PHE 48 2HB PHE 48 -0.531 -8.351 4.652 342 HD1 PHE 48 HD1 PHE 48 -1.326 -6.047 1.771 343 HD2 PHE 48 HD2 PHE 48 -2.613 -7.690 5.491 344 HE1 PHE 48 HE1 PHE 48 -3.303 -4.617 1.733 345 HE2 PHE 48 HE2 PHE 48 -4.593 -6.248 5.436 346 HZ PHE 48 HZ PHE 48 -4.940 -4.708 3.552 347 H VAL 49 H VAL 49 0.351 -4.656 2.834 348 HA VAL 49 HA VAL 49 1.101 -3.640 5.546 349 HB VAL 49 HB VAL 49 0.900 -2.147 2.890 350 1HG1 VAL 49 1HG1 VAL 49 1.918 -1.220 5.626 351 2HG1 VAL 49 2HG1 VAL 49 1.984 -0.279 4.149 352 3HG1 VAL 49 3HG1 VAL 49 0.436 -0.664 4.867 353 1HG2 VAL 49 1HG2 VAL 49 3.282 -3.052 4.554 354 2HG2 VAL 49 2HG2 VAL 49 2.780 -3.734 3.013 355 3HG2 VAL 49 3HG2 VAL 49 3.373 -2.082 3.096 356 H CYS 50 H CYS 50 -1.288 -2.669 2.975 357 HA CYS 50 HA CYS 50 -3.430 -2.777 4.958 358 1HB CYS 50 1HB CYS 50 -3.715 -0.594 5.552 359 2HB CYS 50 2HB CYS 50 -2.008 -0.481 5.252 360 H GLU 51 H GLU 51 -5.492 -1.877 4.055 361 HA GLU 51 HA GLU 51 -5.519 -2.486 1.157 362 1HB GLU 51 1HB GLU 51 -8.227 -2.065 2.017 363 2HB GLU 51 2HB GLU 51 -7.435 -3.585 1.714 364 1HG GLU 51 1HG GLU 51 -6.703 -3.697 4.102 365 2HG GLU 51 2HG GLU 51 -7.531 -2.178 4.405 366 H GLY 52 H GLY 52 -4.360 -0.521 0.970 367 1HA GLY 52 1HA GLY 52 -4.062 1.749 0.562 368 2HA GLY 52 2HA GLY 52 -5.358 1.407 -0.547 369 H GLU 53 H GLU 53 -6.419 3.324 -0.535 370 HA GLU 53 HA GLU 53 -8.231 3.971 1.547 371 1HB GLU 53 1HB GLU 53 -6.026 4.712 2.691 372 2HB GLU 53 2HB GLU 53 -5.823 5.854 1.390 373 1HG GLU 53 1HG GLU 53 -8.251 6.704 2.165 374 2HG GLU 53 2HG GLU 53 -7.862 5.819 3.620 375 H SER 54 H SER 54 -8.827 3.747 -1.081 376 HA SER 54 HA SER 54 -8.485 5.779 -2.903 377 1HB SER 54 1HB SER 54 -10.149 3.775 -3.167 378 2HB SER 54 2HB SER 54 -11.325 4.812 -2.367 379 HG SER 54 HG SER 54 -9.802 5.496 -4.639 Start of MODEL 8 1 1H MET 1 1H MET 1 -10.597 13.936 -9.469 2 2H MET 1 2H MET 1 -10.081 15.537 -9.702 3 3H MET 1 3H MET 1 -9.150 14.249 -10.297 4 HA MET 1 HA MET 1 -7.961 14.553 -8.456 5 1HB MET 1 1HB MET 1 -8.844 15.701 -6.432 6 2HB MET 1 2HB MET 1 -9.189 16.627 -7.872 7 1HG MET 1 1HG MET 1 -11.154 14.833 -6.413 8 2HG MET 1 2HG MET 1 -11.103 16.564 -6.340 9 1HE MET 1 1HE MET 1 -11.996 13.479 -7.939 10 2HE MET 1 2HE MET 1 -13.666 14.042 -7.863 11 3HE MET 1 3HE MET 1 -12.844 13.830 -9.421 12 H LYS 2 H LYS 2 -9.918 12.366 -9.191 13 HA LYS 2 HA LYS 2 -10.765 11.006 -6.818 14 1HB LYS 2 1HB LYS 2 -10.080 9.870 -9.567 15 2HB LYS 2 2HB LYS 2 -10.984 9.023 -8.323 16 1HG LYS 2 1HG LYS 2 -12.732 10.808 -8.388 17 2HG LYS 2 2HG LYS 2 -11.832 11.637 -9.648 18 1HD LYS 2 1HD LYS 2 -12.051 9.642 -11.126 19 2HD LYS 2 2HD LYS 2 -12.970 8.821 -9.874 20 1HE LYS 2 1HE LYS 2 -14.707 10.602 -9.970 21 2HE LYS 2 2HE LYS 2 -13.785 11.437 -11.215 22 1HZ LYS 2 1HZ LYS 2 -14.009 9.501 -12.628 23 2HZ LYS 2 2HZ LYS 2 -14.906 8.704 -11.427 24 3HZ LYS 2 3HZ LYS 2 -15.528 10.102 -12.164 25 H ALA 3 H ALA 3 -9.659 9.885 -5.398 26 HA ALA 3 HA ALA 3 -7.940 8.819 -4.256 27 1HB ALA 3 1HB ALA 3 -8.189 7.133 -6.063 28 2HB ALA 3 2HB ALA 3 -7.054 8.009 -7.072 29 3HB ALA 3 3HB ALA 3 -6.506 7.272 -5.581 30 H CYS 4 H CYS 4 -5.523 8.586 -4.116 31 HA CYS 4 HA CYS 4 -4.322 11.217 -4.049 32 1HB CYS 4 1HB CYS 4 -2.933 8.562 -3.683 33 2HB CYS 4 2HB CYS 4 -2.511 10.103 -3.010 34 H THR 5 H THR 5 -1.708 10.786 -4.722 35 HA THR 5 HA THR 5 -1.702 11.182 -7.564 36 HB THR 5 HB THR 5 0.669 10.834 -5.607 37 HG1 THR 5 HG1 THR 5 -0.871 12.343 -4.902 38 1HG2 THR 5 1HG2 THR 5 0.241 12.582 -8.082 39 2HG2 THR 5 2HG2 THR 5 1.724 12.440 -7.142 40 3HG2 THR 5 3HG2 THR 5 1.172 11.089 -8.127 41 H LEU 6 H LEU 6 1.054 9.461 -7.117 42 HA LEU 6 HA LEU 6 0.043 6.756 -7.382 43 1HB LEU 6 1HB LEU 6 0.991 6.511 -9.788 44 2HB LEU 6 2HB LEU 6 -0.566 7.266 -9.570 45 HG LEU 6 HG LEU 6 0.483 9.484 -9.665 46 1HD1 LEU 6 1HD1 LEU 6 3.053 7.997 -10.374 47 2HD1 LEU 6 2HD1 LEU 6 2.821 9.729 -10.541 48 3HD1 LEU 6 3HD1 LEU 6 2.799 9.003 -8.954 49 1HD2 LEU 6 1HD2 LEU 6 -0.458 8.491 -11.717 50 2HD2 LEU 6 2HD2 LEU 6 0.954 9.446 -12.133 51 3HD2 LEU 6 3HD2 LEU 6 1.069 7.694 -12.063 52 H ASN 7 H ASN 7 2.491 8.691 -6.446 53 HA ASN 7 HA ASN 7 4.819 7.492 -7.286 54 1HB ASN 7 1HB ASN 7 4.259 8.722 -4.568 55 2HB ASN 7 2HB ASN 7 5.848 8.493 -5.270 56 1HD2 ASN 7 2HD2 ASN 7 2.743 10.190 -5.887 57 2HD2 ASN 7 1HD2 ASN 7 3.441 11.465 -6.763 58 H CYS 8 H CYS 8 6.178 6.062 -6.258 59 HA CYS 8 HA CYS 8 4.799 3.789 -4.985 60 1HB CYS 8 1HB CYS 8 7.572 3.231 -5.189 61 2HB CYS 8 2HB CYS 8 6.258 2.568 -6.095 62 H ASP 9 H ASP 9 4.790 3.386 -2.925 63 HA ASP 9 HA ASP 9 6.422 5.014 -1.077 64 1HB ASP 9 1HB ASP 9 4.006 4.661 -0.570 65 2HB ASP 9 2HB ASP 9 4.265 2.940 -0.556 66 HA PRO 10 HA PRO 10 9.620 1.999 -1.008 67 1HB PRO 10 1HB PRO 10 10.349 2.347 1.763 68 2HB PRO 10 2HB PRO 10 11.132 3.019 0.341 69 1HG PRO 10 1HG PRO 10 9.356 4.338 2.250 70 2HG PRO 10 2HG PRO 10 10.364 5.064 1.007 71 1HD PRO 10 1HD PRO 10 7.550 4.863 0.948 72 2HD PRO 10 2HD PRO 10 8.576 5.263 -0.438 73 H ARG 11 H ARG 11 7.340 1.938 1.582 74 HA ARG 11 HA ARG 11 7.866 -0.833 2.351 75 1HB ARG 11 1HB ARG 11 5.413 0.833 3.022 76 2HB ARG 11 2HB ARG 11 6.013 -0.567 3.882 77 1HG ARG 11 1HG ARG 11 8.065 0.638 4.539 78 2HG ARG 11 2HG ARG 11 7.561 2.055 3.634 79 1HD ARG 11 1HD ARG 11 6.060 0.859 5.994 80 2HD ARG 11 2HD ARG 11 7.001 2.341 6.032 81 HE ARG 11 HE ARG 11 4.360 1.970 4.804 82 1HH1 ARG 11 1HH1 ARG 11 7.198 3.955 5.028 83 2HH1 ARG 11 2HH1 ARG 11 6.378 5.368 4.459 84 1HH2 ARG 11 1HH2 ARG 11 3.318 3.735 4.093 85 2HH2 ARG 11 2HH2 ARG 11 4.150 5.244 3.918 86 H ILE 12 H ILE 12 5.746 0.852 0.175 87 HA ILE 12 HA ILE 12 4.053 -1.511 -0.321 88 HB ILE 12 HB ILE 12 4.114 1.203 -1.687 89 1HG1 ILE 12 1HG1 ILE 12 3.546 1.395 0.727 90 2HG1 ILE 12 2HG1 ILE 12 2.182 1.803 -0.286 91 1HG2 ILE 12 1HG2 ILE 12 1.996 -0.984 -1.838 92 2HG2 ILE 12 2HG2 ILE 12 1.834 0.636 -2.502 93 3HG2 ILE 12 3HG2 ILE 12 3.042 -0.455 -3.141 94 1HD1 ILE 12 1HD1 ILE 12 1.232 -0.440 0.108 95 2HD1 ILE 12 2HD1 ILE 12 2.606 -0.840 1.129 96 3HD1 ILE 12 3HD1 ILE 12 1.491 0.431 1.607 97 H ALA 13 H ALA 13 3.969 -2.648 -2.112 98 HA ALA 13 HA ALA 13 6.181 -2.393 -4.122 99 1HB ALA 13 1HB ALA 13 4.854 -4.907 -3.060 100 2HB ALA 13 2HB ALA 13 6.131 -4.869 -4.260 101 3HB ALA 13 3HB ALA 13 6.452 -4.303 -2.632 102 H TYR 14 H TYR 14 2.996 -3.744 -3.516 103 HA TYR 14 HA TYR 14 1.855 -2.601 -5.956 104 1HB TYR 14 1HB TYR 14 1.305 -4.927 -6.952 105 2HB TYR 14 2HB TYR 14 2.966 -4.395 -7.095 106 HD1 TYR 14 HD1 TYR 14 4.736 -5.453 -5.752 107 HD2 TYR 14 HD2 TYR 14 0.712 -6.766 -5.477 108 HE1 TYR 14 HE1 TYR 14 5.484 -7.467 -4.592 109 HE2 TYR 14 HE2 TYR 14 1.448 -8.791 -4.311 110 HH TYR 14 HH TYR 14 3.466 -10.156 -4.090 111 H GLY 15 H GLY 15 -0.406 -3.917 -6.279 112 1HA GLY 15 1HA GLY 15 -1.546 -4.771 -3.728 113 2HA GLY 15 2HA GLY 15 -2.133 -3.213 -4.283 114 H VAL 16 H VAL 16 -3.675 -5.466 -3.803 115 HA VAL 16 HA VAL 16 -4.727 -6.142 -6.532 116 HB VAL 16 HB VAL 16 -4.589 -7.811 -3.992 117 1HG1 VAL 16 1HG1 VAL 16 -6.216 -8.447 -6.494 118 2HG1 VAL 16 2HG1 VAL 16 -5.953 -9.533 -5.135 119 3HG1 VAL 16 3HG1 VAL 16 -6.893 -8.077 -4.917 120 1HG2 VAL 16 1HG2 VAL 16 -3.700 -8.300 -6.868 121 2HG2 VAL 16 2HG2 VAL 16 -2.632 -7.898 -5.540 122 3HG2 VAL 16 3HG2 VAL 16 -3.489 -9.430 -5.540 123 H CYS 17 H CYS 17 -6.537 -5.161 -6.927 124 HA CYS 17 HA CYS 17 -8.402 -4.424 -4.712 125 1HB CYS 17 1HB CYS 17 -8.052 -3.276 -7.487 126 2HB CYS 17 2HB CYS 17 -9.213 -2.691 -6.342 127 HA PRO 18 HA PRO 18 -11.671 -6.601 -7.114 128 1HB PRO 18 1HB PRO 18 -13.544 -4.393 -6.968 129 2HB PRO 18 2HB PRO 18 -13.599 -5.927 -6.118 130 1HG PRO 18 1HG PRO 18 -13.021 -3.369 -5.003 131 2HG PRO 18 2HG PRO 18 -12.935 -4.919 -4.184 132 1HD PRO 18 1HD PRO 18 -10.739 -3.224 -5.123 133 2HD PRO 18 2HD PRO 18 -10.654 -4.646 -4.070 134 H ARG 19 H ARG 19 -12.856 -6.209 -9.131 135 HA ARG 19 HA ARG 19 -12.642 -5.824 -11.422 136 1HB ARG 19 1HB ARG 19 -12.633 -2.892 -11.280 137 2HB ARG 19 2HB ARG 19 -13.891 -3.988 -11.785 138 1HG ARG 19 1HG ARG 19 -14.631 -4.253 -9.444 139 2HG ARG 19 2HG ARG 19 -13.305 -3.232 -8.894 140 1HD ARG 19 1HD ARG 19 -15.261 -1.887 -9.055 141 2HD ARG 19 2HD ARG 19 -14.100 -1.418 -10.311 142 HE ARG 19 HE ARG 19 -15.993 -3.398 -11.272 143 1HH1 ARG 19 1HH1 ARG 19 -15.551 -0.021 -10.626 144 2HH1 ARG 19 2HH1 ARG 19 -16.725 0.471 -11.799 145 1HH2 ARG 19 1HH2 ARG 19 -17.482 -2.797 -12.758 146 2HH2 ARG 19 2HH2 ARG 19 -17.836 -1.122 -13.024 147 H SER 20 H SER 20 -10.357 -6.436 -10.684 148 HA SER 20 HA SER 20 -8.492 -5.061 -12.478 149 1HB SER 20 1HB SER 20 -6.704 -4.886 -10.639 150 2HB SER 20 2HB SER 20 -8.086 -3.823 -10.337 151 HG SER 20 HG SER 20 -7.396 -6.253 -9.143 152 H GLU 21 H GLU 21 -8.356 -6.797 -13.658 153 HA GLU 21 HA GLU 21 -8.131 -9.477 -12.768 154 1HB GLU 21 1HB GLU 21 -9.131 -8.671 -14.965 155 2HB GLU 21 2HB GLU 21 -7.517 -8.297 -15.515 156 1HG GLU 21 1HG GLU 21 -8.460 -11.085 -14.692 157 2HG GLU 21 2HG GLU 21 -8.393 -10.520 -16.347 158 H GLU 22 H GLU 22 -6.475 -10.662 -12.685 159 HA GLU 22 HA GLU 22 -4.296 -11.511 -12.508 160 1HB GLU 22 1HB GLU 22 -3.913 -9.548 -14.552 161 2HB GLU 22 2HB GLU 22 -2.794 -9.038 -13.313 162 1HG GLU 22 1HG GLU 22 -1.606 -10.566 -14.759 163 2HG GLU 22 2HG GLU 22 -1.908 -11.425 -13.259 164 H LYS 23 H LYS 23 -4.008 -11.650 -10.448 165 HA LYS 23 HA LYS 23 -4.200 -9.478 -8.585 166 1HB LYS 23 1HB LYS 23 -3.656 -12.443 -8.532 167 2HB LYS 23 2HB LYS 23 -3.189 -11.526 -7.123 168 1HG LYS 23 1HG LYS 23 -5.405 -12.345 -6.723 169 2HG LYS 23 2HG LYS 23 -5.480 -10.611 -6.909 170 1HD LYS 23 1HD LYS 23 -5.931 -12.322 -9.360 171 2HD LYS 23 2HD LYS 23 -7.209 -12.232 -8.171 172 1HE LYS 23 1HE LYS 23 -7.360 -9.803 -8.416 173 2HE LYS 23 2HE LYS 23 -5.995 -9.751 -9.507 174 1HZ LYS 23 1HZ LYS 23 -8.060 -11.581 -10.302 175 2HZ LYS 23 2HZ LYS 23 -8.534 -9.949 -10.261 176 3HZ LYS 23 3HZ LYS 23 -7.205 -10.423 -11.205 177 H LYS 24 H LYS 24 -1.486 -11.469 -7.861 178 HA LYS 24 HA LYS 24 0.297 -9.103 -8.092 179 1HB LYS 24 1HB LYS 24 1.872 -11.087 -6.943 180 2HB LYS 24 2HB LYS 24 0.955 -9.905 -6.062 181 1HG LYS 24 1HG LYS 24 -0.288 -12.563 -6.792 182 2HG LYS 24 2HG LYS 24 0.725 -12.389 -5.375 183 1HD LYS 24 1HD LYS 24 -0.718 -10.604 -4.484 184 2HD LYS 24 2HD LYS 24 -1.749 -10.669 -5.889 185 1HE LYS 24 1HE LYS 24 -1.295 -12.946 -3.908 186 2HE LYS 24 2HE LYS 24 -2.736 -11.946 -4.007 187 1HZ LYS 24 1HZ LYS 24 -2.100 -13.088 -6.529 188 2HZ LYS 24 2HZ LYS 24 -2.271 -14.285 -5.338 189 3HZ LYS 24 3HZ LYS 24 -3.532 -13.185 -5.626 190 H ASN 25 H ASN 25 0.720 -9.021 -10.194 191 HA ASN 25 HA ASN 25 2.510 -11.055 -11.303 192 1HB ASN 25 1HB ASN 25 -0.275 -10.518 -12.196 193 2HB ASN 25 2HB ASN 25 0.863 -10.432 -13.526 194 1HD2 ASN 25 2HD2 ASN 25 -0.381 -12.574 -10.982 195 2HD2 ASN 25 1HD2 ASN 25 0.131 -14.016 -11.714 196 H ASP 26 H ASP 26 2.351 -8.163 -10.408 197 HA ASP 26 HA ASP 26 4.385 -7.126 -12.135 198 1HB ASP 26 1HB ASP 26 1.549 -6.435 -12.779 199 2HB ASP 26 2HB ASP 26 2.564 -5.023 -12.582 200 H ARG 27 H ARG 27 5.586 -6.097 -10.744 201 HA ARG 27 HA ARG 27 4.470 -4.998 -8.249 202 1HB ARG 27 1HB ARG 27 6.506 -6.242 -8.022 203 2HB ARG 27 2HB ARG 27 7.284 -5.390 -9.341 204 1HG ARG 27 1HG ARG 27 7.403 -3.312 -8.001 205 2HG ARG 27 2HG ARG 27 6.465 -4.057 -6.723 206 1HD ARG 27 1HD ARG 27 9.162 -5.135 -7.646 207 2HD ARG 27 2HD ARG 27 8.974 -3.967 -6.356 208 HE ARG 27 HE ARG 27 7.881 -5.613 -5.005 209 1HH1 ARG 27 1HH1 ARG 27 8.841 -6.864 -8.106 210 2HH1 ARG 27 2HH1 ARG 27 8.679 -8.509 -7.596 211 1HH2 ARG 27 1HH2 ARG 27 7.675 -7.672 -4.366 212 2HH2 ARG 27 2HH2 ARG 27 8.003 -8.976 -5.457 213 H ILE 28 H ILE 28 3.210 -3.382 -9.203 214 HA ILE 28 HA ILE 28 4.173 -1.325 -10.900 215 HB ILE 28 HB ILE 28 1.856 -0.730 -9.135 216 1HG1 ILE 28 1HG1 ILE 28 0.460 -2.252 -10.942 217 2HG1 ILE 28 2HG1 ILE 28 1.925 -3.204 -10.902 218 1HG2 ILE 28 1HG2 ILE 28 2.252 -0.628 -12.103 219 2HG2 ILE 28 2HG2 ILE 28 0.818 -0.073 -11.240 220 3HG2 ILE 28 3HG2 ILE 28 2.355 0.726 -10.979 221 1HD1 ILE 28 1HD1 ILE 28 1.697 -3.353 -8.405 222 2HD1 ILE 28 2HD1 ILE 28 0.214 -2.437 -8.497 223 3HD1 ILE 28 3HD1 ILE 28 0.306 -4.030 -9.228 224 H CYS 29 H CYS 29 3.837 0.999 -10.185 225 HA CYS 29 HA CYS 29 5.386 1.523 -7.693 226 1HB CYS 29 1HB CYS 29 6.483 2.453 -9.627 227 2HB CYS 29 2HB CYS 29 4.989 3.101 -10.254 228 H THR 30 H THR 30 3.969 1.855 -6.096 229 HA THR 30 HA THR 30 2.077 4.056 -6.262 230 HB THR 30 HB THR 30 0.733 2.276 -7.400 231 HG1 THR 30 HG1 THR 30 -0.021 3.768 -5.584 232 1HG2 THR 30 1HG2 THR 30 1.047 0.723 -4.767 233 2HG2 THR 30 2HG2 THR 30 0.069 0.240 -6.142 234 3HG2 THR 30 3HG2 THR 30 1.819 0.261 -6.272 235 H ASN 31 H ASN 31 0.822 4.284 -4.278 236 HA ASN 31 HA ASN 31 2.220 3.255 -1.848 237 1HB ASN 31 1HB ASN 31 1.930 5.538 -0.852 238 2HB ASN 31 2HB ASN 31 2.947 5.580 -2.281 239 1HD2 ASN 31 2HD2 ASN 31 1.640 7.891 -1.316 240 2HD2 ASN 31 1HD2 ASN 31 0.472 8.368 -2.451 241 H CYS 32 H CYS 32 0.906 3.166 0.039 242 HA CYS 32 HA CYS 32 -1.603 1.993 -0.230 243 1HB CYS 32 1HB CYS 32 -0.378 1.852 1.855 244 2HB CYS 32 2HB CYS 32 -0.474 3.580 2.094 245 H CYS 33 H CYS 33 -0.861 5.383 -0.063 246 HA CYS 33 HA CYS 33 -3.477 6.403 0.471 247 1HB CYS 33 1HB CYS 33 -1.273 7.667 0.535 248 2HB CYS 33 2HB CYS 33 -1.289 7.682 -1.203 249 H ALA 34 H ALA 34 -1.721 6.130 -2.616 250 HA ALA 34 HA ALA 34 -3.835 6.792 -4.363 251 1HB ALA 34 1HB ALA 34 -1.529 4.862 -4.838 252 2HB ALA 34 2HB ALA 34 -2.519 5.574 -6.102 253 3HB ALA 34 3HB ALA 34 -1.495 6.599 -5.113 254 H GLY 35 H GLY 35 -3.030 3.670 -2.931 255 1HA GLY 35 1HA GLY 35 -4.686 2.015 -4.410 256 2HA GLY 35 2HA GLY 35 -4.272 1.726 -2.721 257 H THR 36 H THR 36 -6.848 1.259 -4.013 258 HA THR 36 HA THR 36 -8.574 3.340 -2.848 259 HB THR 36 HB THR 36 -9.781 0.926 -4.137 260 HG1 THR 36 HG1 THR 36 -8.228 2.995 -5.334 261 1HG2 THR 36 1HG2 THR 36 -11.187 2.952 -3.438 262 2HG2 THR 36 2HG2 THR 36 -10.231 3.931 -4.535 263 3HG2 THR 36 3HG2 THR 36 -11.241 2.642 -5.160 264 H LYS 37 H LYS 37 -10.611 2.416 -1.832 265 HA LYS 37 HA LYS 37 -9.801 0.893 0.542 266 1HB LYS 37 1HB LYS 37 -12.724 1.417 0.051 267 2HB LYS 37 2HB LYS 37 -11.781 1.609 1.511 268 1HG LYS 37 1HG LYS 37 -10.780 3.711 0.572 269 2HG LYS 37 2HG LYS 37 -11.732 3.513 -0.887 270 1HD LYS 37 1HD LYS 37 -12.888 5.088 0.517 271 2HD LYS 37 2HD LYS 37 -13.824 3.607 0.474 272 1HE LYS 37 1HE LYS 37 -12.885 2.951 2.704 273 2HE LYS 37 2HE LYS 37 -11.949 4.438 2.737 274 1HZ LYS 37 1HZ LYS 37 -14.896 4.322 2.518 275 2HZ LYS 37 2HZ LYS 37 -14.046 4.540 3.972 276 3HZ LYS 37 3HZ LYS 37 -13.940 5.708 2.743 277 H GLY 38 H GLY 38 -10.205 -1.204 0.892 278 1HA GLY 38 1HA GLY 38 -11.379 -3.294 0.603 279 2HA GLY 38 2HA GLY 38 -11.906 -2.755 -0.990 280 H CYS 39 H CYS 39 -9.120 -1.698 -1.481 281 HA CYS 39 HA CYS 39 -8.019 -3.965 -2.842 282 1HB CYS 39 1HB CYS 39 -6.741 -1.332 -2.059 283 2HB CYS 39 2HB CYS 39 -6.096 -2.447 -3.218 284 H LYS 40 H LYS 40 -5.635 -4.434 -2.512 285 HA LYS 40 HA LYS 40 -4.943 -4.785 0.369 286 1HB LYS 40 1HB LYS 40 -4.852 -7.008 -1.738 287 2HB LYS 40 2HB LYS 40 -4.325 -7.133 -0.068 288 1HG LYS 40 1HG LYS 40 -6.656 -6.652 0.702 289 2HG LYS 40 2HG LYS 40 -7.177 -6.476 -0.959 290 1HD LYS 40 1HD LYS 40 -7.865 -8.653 -0.284 291 2HD LYS 40 2HD LYS 40 -6.518 -8.877 -1.377 292 1HE LYS 40 1HE LYS 40 -6.214 -8.875 1.655 293 2HE LYS 40 2HE LYS 40 -6.458 -10.335 0.709 294 1HZ LYS 40 1HZ LYS 40 -4.428 -9.171 -0.583 295 2HZ LYS 40 2HZ LYS 40 -4.105 -8.717 1.021 296 3HZ LYS 40 3HZ LYS 40 -4.259 -10.359 0.617 297 H TYR 41 H TYR 41 -3.382 -3.243 0.185 298 HA TYR 41 HA TYR 41 -1.310 -3.405 -1.872 299 1HB TYR 41 1HB TYR 41 -2.232 -1.419 0.168 300 2HB TYR 41 2HB TYR 41 -0.530 -1.373 -0.226 301 HD1 TYR 41 HD1 TYR 41 -3.539 -2.078 -2.420 302 HD2 TYR 41 HD2 TYR 41 -0.191 0.428 -1.607 303 HE1 TYR 41 HE1 TYR 41 -3.976 -0.815 -4.470 304 HE2 TYR 41 HE2 TYR 41 -0.631 1.679 -3.645 305 HH TYR 41 HH TYR 41 -2.543 2.168 -5.132 306 H PHE 42 H PHE 42 0.348 -4.710 -1.624 307 HA PHE 42 HA PHE 42 1.491 -5.162 1.073 308 1HB PHE 42 1HB PHE 42 2.335 -7.285 -0.626 309 2HB PHE 42 2HB PHE 42 1.251 -7.304 0.734 310 HD1 PHE 42 HD1 PHE 42 1.004 -6.282 -2.879 311 HD2 PHE 42 HD2 PHE 42 -0.691 -8.335 0.429 312 HE1 PHE 42 HE1 PHE 42 -0.898 -7.017 -4.288 313 HE2 PHE 42 HE2 PHE 42 -2.576 -9.068 -0.972 314 HZ PHE 42 HZ PHE 42 -2.668 -8.411 -3.328 315 H SER 43 H SER 43 3.573 -5.685 1.250 316 HA SER 43 HA SER 43 5.409 -3.986 -0.066 317 1HB SER 43 1HB SER 43 5.868 -6.314 1.867 318 2HB SER 43 2HB SER 43 6.964 -4.990 1.541 319 HG SER 43 HG SER 43 4.980 -3.672 2.095 320 H ASP 44 H ASP 44 7.616 -4.963 -0.402 321 HA ASP 44 HA ASP 44 7.594 -6.371 -2.910 322 1HB ASP 44 1HB ASP 44 9.367 -4.675 -1.584 323 2HB ASP 44 2HB ASP 44 10.203 -6.208 -1.472 324 H ASP 45 H ASP 45 8.629 -7.168 0.313 325 HA ASP 45 HA ASP 45 9.537 -9.835 -0.194 326 1HB ASP 45 1HB ASP 45 10.246 -8.565 1.785 327 2HB ASP 45 2HB ASP 45 8.592 -8.437 2.348 328 H GLY 46 H GLY 46 6.408 -8.575 -0.247 329 1HA GLY 46 1HA GLY 46 4.416 -9.617 -0.617 330 2HA GLY 46 2HA GLY 46 5.220 -11.201 -0.411 331 H THR 47 H THR 47 4.309 -8.275 1.292 332 HA THR 47 HA THR 47 3.284 -9.697 3.546 333 HB THR 47 HB THR 47 5.621 -7.721 3.735 334 HG1 THR 47 HG1 THR 47 6.315 -9.742 3.272 335 1HG2 THR 47 1HG2 THR 47 4.188 -9.265 5.993 336 2HG2 THR 47 2HG2 THR 47 5.554 -8.180 6.208 337 3HG2 THR 47 3HG2 THR 47 3.991 -7.538 5.737 338 H PHE 48 H PHE 48 1.408 -8.896 3.564 339 HA PHE 48 HA PHE 48 0.322 -6.634 2.446 340 1HB PHE 48 1HB PHE 48 -0.978 -8.512 3.315 341 2HB PHE 48 2HB PHE 48 -0.557 -8.085 4.961 342 HD1 PHE 48 HD1 PHE 48 -1.460 -5.997 5.983 343 HD2 PHE 48 HD2 PHE 48 -2.690 -7.271 2.101 344 HE1 PHE 48 HE1 PHE 48 -3.378 -4.480 6.093 345 HE2 PHE 48 HE2 PHE 48 -4.611 -5.750 2.225 346 HZ PHE 48 HZ PHE 48 -4.947 -4.353 4.217 347 H VAL 49 H VAL 49 0.420 -4.609 2.729 348 HA VAL 49 HA VAL 49 1.441 -3.416 5.270 349 HB VAL 49 HB VAL 49 1.115 -2.108 2.533 350 1HG1 VAL 49 1HG1 VAL 49 2.579 -1.174 5.051 351 2HG1 VAL 49 2HG1 VAL 49 2.579 -0.330 3.514 352 3HG1 VAL 49 3HG1 VAL 49 1.092 -0.476 4.427 353 1HG2 VAL 49 1HG2 VAL 49 3.588 -3.201 3.913 354 2HG2 VAL 49 2HG2 VAL 49 2.807 -3.902 2.503 355 3HG2 VAL 49 3HG2 VAL 49 3.575 -2.330 2.387 356 H CYS 50 H CYS 50 -1.164 -2.741 2.806 357 HA CYS 50 HA CYS 50 -3.037 -2.140 4.985 358 1HB CYS 50 1HB CYS 50 -3.169 0.152 4.757 359 2HB CYS 50 2HB CYS 50 -1.520 0.015 4.215 360 H GLU 51 H GLU 51 -5.100 -1.235 3.853 361 HA GLU 51 HA GLU 51 -5.521 -2.934 1.434 362 1HB GLU 51 1HB GLU 51 -8.110 -2.244 2.470 363 2HB GLU 51 2HB GLU 51 -7.276 -3.759 2.676 364 1HG GLU 51 1HG GLU 51 -6.259 -2.958 4.816 365 2HG GLU 51 2HG GLU 51 -7.120 -1.445 4.617 366 H GLY 52 H GLY 52 -4.306 -0.795 0.867 367 1HA GLY 52 1HA GLY 52 -4.288 1.197 -0.363 368 2HA GLY 52 2HA GLY 52 -5.857 0.682 -0.969 369 H GLU 53 H GLU 53 -7.036 2.570 -0.771 370 HA GLU 53 HA GLU 53 -8.567 3.487 1.113 371 1HB GLU 53 1HB GLU 53 -6.803 3.734 2.863 372 2HB GLU 53 2HB GLU 53 -5.838 4.754 1.808 373 1HG GLU 53 1HG GLU 53 -7.194 5.919 3.649 374 2HG GLU 53 2HG GLU 53 -7.474 6.577 2.057 375 H SER 54 H SER 54 -9.185 3.862 -1.064 376 HA SER 54 HA SER 54 -9.920 5.261 -2.757 377 1HB SER 54 1HB SER 54 -10.453 6.869 -0.940 378 2HB SER 54 2HB SER 54 -8.811 7.521 -0.977 379 HG SER 54 HG SER 54 -10.342 7.307 -3.327 Start of MODEL 9 1 1H MET 1 1H MET 1 -8.900 7.627 4.273 2 2H MET 1 2H MET 1 -10.040 7.274 5.481 3 3H MET 1 3H MET 1 -9.843 6.219 4.167 4 HA MET 1 HA MET 1 -11.407 7.257 3.077 5 1HB MET 1 1HB MET 1 -11.620 8.403 5.693 6 2HB MET 1 2HB MET 1 -11.742 9.759 4.597 7 1HG MET 1 1HG MET 1 -13.508 8.537 3.331 8 2HG MET 1 2HG MET 1 -13.392 7.223 4.470 9 1HE MET 1 1HE MET 1 -13.832 11.113 4.410 10 2HE MET 1 2HE MET 1 -15.156 10.387 3.469 11 3HE MET 1 3HE MET 1 -15.485 11.222 4.978 12 H LYS 2 H LYS 2 -11.591 8.648 1.420 13 HA LYS 2 HA LYS 2 -10.894 10.031 -0.293 14 1HB LYS 2 1HB LYS 2 -11.527 11.733 1.416 15 2HB LYS 2 2HB LYS 2 -9.888 11.749 2.036 16 1HG LYS 2 1HG LYS 2 -9.045 12.489 -0.208 17 2HG LYS 2 2HG LYS 2 -10.686 12.494 -0.817 18 1HD LYS 2 1HD LYS 2 -9.691 14.215 1.499 19 2HD LYS 2 2HD LYS 2 -9.854 14.771 -0.153 20 1HE LYS 2 1HE LYS 2 -12.311 14.280 -0.067 21 2HE LYS 2 2HE LYS 2 -12.143 13.790 1.615 22 1HZ LYS 2 1HZ LYS 2 -11.451 16.459 0.544 23 2HZ LYS 2 2HZ LYS 2 -12.870 16.072 1.394 24 3HZ LYS 2 3HZ LYS 2 -11.361 15.973 2.169 25 H ALA 3 H ALA 3 -9.407 8.941 -1.379 26 HA ALA 3 HA ALA 3 -6.919 8.111 -0.724 27 1HB ALA 3 1HB ALA 3 -7.874 9.070 -3.432 28 2HB ALA 3 2HB ALA 3 -6.448 8.076 -3.180 29 3HB ALA 3 3HB ALA 3 -8.037 7.447 -2.781 30 H CYS 4 H CYS 4 -4.879 8.883 -0.680 31 HA CYS 4 HA CYS 4 -4.383 11.677 -0.324 32 1HB CYS 4 1HB CYS 4 -2.804 9.157 -0.342 33 2HB CYS 4 2HB CYS 4 -1.881 10.599 -0.568 34 H THR 5 H THR 5 -1.987 12.168 -1.489 35 HA THR 5 HA THR 5 -2.689 13.171 -4.065 36 HB THR 5 HB THR 5 0.014 13.171 -2.597 37 HG1 THR 5 HG1 THR 5 -1.680 13.904 -1.314 38 1HG2 THR 5 1HG2 THR 5 -1.322 15.196 -4.422 39 2HG2 THR 5 2HG2 THR 5 0.277 15.319 -3.681 40 3HG2 THR 5 3HG2 THR 5 -0.013 14.144 -4.955 41 H LEU 6 H LEU 6 -2.694 10.252 -4.086 42 HA LEU 6 HA LEU 6 -1.944 8.453 -5.376 43 1HB LEU 6 1HB LEU 6 -1.096 10.682 -7.275 44 2HB LEU 6 2HB LEU 6 -1.424 9.019 -7.711 45 HG LEU 6 HG LEU 6 -3.494 10.951 -6.557 46 1HD1 LEU 6 1HD1 LEU 6 -3.130 9.881 -9.387 47 2HD1 LEU 6 2HD1 LEU 6 -4.454 10.900 -8.845 48 3HD1 LEU 6 3HD1 LEU 6 -2.818 11.530 -8.870 49 1HD2 LEU 6 1HD2 LEU 6 -3.833 8.125 -7.671 50 2HD2 LEU 6 2HD2 LEU 6 -3.992 8.567 -5.978 51 3HD2 LEU 6 3HD2 LEU 6 -5.136 9.181 -7.152 52 H ASN 7 H ASN 7 -0.043 9.696 -3.495 53 HA ASN 7 HA ASN 7 2.540 9.834 -4.406 54 1HB ASN 7 1HB ASN 7 1.691 8.783 -1.682 55 2HB ASN 7 2HB ASN 7 3.205 9.573 -2.074 56 1HD2 ASN 7 2HD2 ASN 7 -0.221 10.075 -1.536 57 2HD2 ASN 7 1HD2 ASN 7 -0.160 11.766 -1.431 58 H CYS 8 H CYS 8 4.263 8.364 -3.505 59 HA CYS 8 HA CYS 8 3.798 5.496 -4.334 60 1HB CYS 8 1HB CYS 8 6.174 7.335 -4.390 61 2HB CYS 8 2HB CYS 8 6.390 5.639 -4.370 62 H ASP 9 H ASP 9 4.716 4.057 -2.862 63 HA ASP 9 HA ASP 9 5.545 5.116 -0.207 64 1HB ASP 9 1HB ASP 9 3.293 4.540 -0.281 65 2HB ASP 9 2HB ASP 9 3.615 2.899 -0.785 66 HA PRO 10 HA PRO 10 9.058 2.803 -1.232 67 1HB PRO 10 1HB PRO 10 10.359 2.839 1.267 68 2HB PRO 10 2HB PRO 10 10.433 4.101 0.045 69 1HG PRO 10 1HG PRO 10 8.858 4.015 2.560 70 2HG PRO 10 2HG PRO 10 9.447 5.410 1.666 71 1HD PRO 10 1HD PRO 10 6.786 4.527 1.668 72 2HD PRO 10 2HD PRO 10 7.505 5.573 0.427 73 H ARG 11 H ARG 11 7.345 1.827 1.603 74 HA ARG 11 HA ARG 11 8.551 -0.867 1.578 75 1HB ARG 11 1HB ARG 11 7.181 -1.380 3.531 76 2HB ARG 11 2HB ARG 11 7.997 0.138 3.771 77 1HG ARG 11 1HG ARG 11 5.153 0.157 2.734 78 2HG ARG 11 2HG ARG 11 5.438 -0.182 4.417 79 1HD ARG 11 1HD ARG 11 6.461 2.349 3.048 80 2HD ARG 11 2HD ARG 11 5.014 2.246 4.037 81 HE ARG 11 HE ARG 11 6.928 1.201 5.682 82 1HH1 ARG 11 1HH1 ARG 11 6.688 4.098 3.786 83 2HH1 ARG 11 2HH1 ARG 11 7.670 5.025 4.870 84 1HH2 ARG 11 1HH2 ARG 11 8.176 2.364 7.070 85 2HH2 ARG 11 2HH2 ARG 11 8.523 4.032 6.755 86 H ILE 12 H ILE 12 5.824 0.636 0.085 87 HA ILE 12 HA ILE 12 4.327 -1.904 -0.146 88 HB ILE 12 HB ILE 12 3.798 0.902 -1.083 89 1HG1 ILE 12 1HG1 ILE 12 2.241 -1.113 0.594 90 2HG1 ILE 12 2HG1 ILE 12 3.322 0.060 1.301 91 1HG2 ILE 12 1HG2 ILE 12 2.165 -1.593 -1.811 92 2HG2 ILE 12 2HG2 ILE 12 1.674 0.060 -2.130 93 3HG2 ILE 12 3HG2 ILE 12 3.053 -0.607 -2.962 94 1HD1 ILE 12 1HD1 ILE 12 1.919 1.872 0.305 95 2HD1 ILE 12 2HD1 ILE 12 0.827 0.643 -0.329 96 3HD1 ILE 12 3HD1 ILE 12 1.021 0.830 1.405 97 H ALA 13 H ALA 13 4.226 -3.138 -1.841 98 HA ALA 13 HA ALA 13 6.101 -2.695 -4.112 99 1HB ALA 13 1HB ALA 13 4.600 -5.218 -3.242 100 2HB ALA 13 2HB ALA 13 5.761 -5.123 -4.550 101 3HB ALA 13 3HB ALA 13 6.285 -4.855 -2.902 102 H TYR 14 H TYR 14 2.871 -4.000 -3.476 103 HA TYR 14 HA TYR 14 1.674 -2.258 -5.466 104 1HB TYR 14 1HB TYR 14 0.975 -4.121 -7.046 105 2HB TYR 14 2HB TYR 14 2.684 -3.748 -7.045 106 HD1 TYR 14 HD1 TYR 14 0.148 -6.218 -6.064 107 HD2 TYR 14 HD2 TYR 14 4.307 -5.342 -6.186 108 HE1 TYR 14 HE1 TYR 14 0.660 -8.560 -5.603 109 HE2 TYR 14 HE2 TYR 14 4.823 -7.677 -5.726 110 HH TYR 14 HH TYR 14 2.787 -10.121 -6.143 111 H GLY 15 H GLY 15 -0.491 -2.675 -5.984 112 1HA GLY 15 1HA GLY 15 -2.041 -3.759 -3.682 113 2HA GLY 15 2HA GLY 15 -2.581 -2.458 -4.721 114 H VAL 16 H VAL 16 -3.947 -4.804 -4.051 115 HA VAL 16 HA VAL 16 -4.461 -5.934 -6.775 116 HB VAL 16 HB VAL 16 -3.976 -7.405 -4.162 117 1HG1 VAL 16 1HG1 VAL 16 -5.226 -8.584 -6.662 118 2HG1 VAL 16 2HG1 VAL 16 -4.715 -9.502 -5.257 119 3HG1 VAL 16 3HG1 VAL 16 -6.049 -8.374 -5.120 120 1HG2 VAL 16 1HG2 VAL 16 -2.035 -6.992 -5.673 121 2HG2 VAL 16 2HG2 VAL 16 -2.403 -8.705 -5.589 122 3HG2 VAL 16 3HG2 VAL 16 -2.890 -7.769 -6.993 123 H CYS 17 H CYS 17 -6.446 -5.296 -7.279 124 HA CYS 17 HA CYS 17 -8.466 -4.932 -5.137 125 1HB CYS 17 1HB CYS 17 -8.461 -4.019 -7.988 126 2HB CYS 17 2HB CYS 17 -9.698 -3.655 -6.814 127 HA PRO 18 HA PRO 18 -10.517 -8.792 -6.194 128 1HB PRO 18 1HB PRO 18 -12.996 -7.434 -5.292 129 2HB PRO 18 2HB PRO 18 -12.252 -8.919 -4.712 130 1HG PRO 18 1HG PRO 18 -12.177 -6.472 -3.390 131 2HG PRO 18 2HG PRO 18 -11.062 -7.799 -3.098 132 1HD PRO 18 1HD PRO 18 -10.544 -5.227 -4.423 133 2HD PRO 18 2HD PRO 18 -9.381 -6.436 -3.848 134 H ARG 19 H ARG 19 -11.514 -9.568 -7.928 135 HA ARG 19 HA ARG 19 -12.282 -9.643 -10.111 136 1HB ARG 19 1HB ARG 19 -14.277 -7.498 -9.241 137 2HB ARG 19 2HB ARG 19 -14.498 -8.700 -10.485 138 1HG ARG 19 1HG ARG 19 -15.824 -9.411 -8.648 139 2HG ARG 19 2HG ARG 19 -14.444 -10.481 -8.678 140 1HD ARG 19 1HD ARG 19 -13.453 -9.428 -6.759 141 2HD ARG 19 2HD ARG 19 -14.573 -8.067 -6.819 142 HE ARG 19 HE ARG 19 -15.062 -10.745 -5.741 143 1HH1 ARG 19 1HH1 ARG 19 -16.491 -7.854 -7.021 144 2HH1 ARG 19 2HH1 ARG 19 -18.011 -8.128 -6.239 145 1HH2 ARG 19 1HH2 ARG 19 -16.977 -11.107 -4.747 146 2HH2 ARG 19 2HH2 ARG 19 -18.292 -9.995 -4.935 147 H SER 20 H SER 20 -10.205 -7.808 -9.622 148 HA SER 20 HA SER 20 -9.997 -6.466 -12.141 149 1HB SER 20 1HB SER 20 -9.949 -4.066 -11.197 150 2HB SER 20 2HB SER 20 -11.559 -4.778 -11.073 151 HG SER 20 HG SER 20 -10.507 -5.615 -8.949 152 H GLU 21 H GLU 21 -8.378 -8.178 -11.431 153 HA GLU 21 HA GLU 21 -5.922 -6.866 -10.777 154 1HB GLU 21 1HB GLU 21 -5.489 -8.464 -8.770 155 2HB GLU 21 2HB GLU 21 -6.695 -7.231 -8.482 156 1HG GLU 21 1HG GLU 21 -8.542 -8.805 -8.918 157 2HG GLU 21 2HG GLU 21 -7.462 -10.044 -9.486 158 H GLU 22 H GLU 22 -5.624 -9.998 -9.813 159 HA GLU 22 HA GLU 22 -4.613 -11.849 -10.610 160 1HB GLU 22 1HB GLU 22 -6.932 -11.286 -12.220 161 2HB GLU 22 2HB GLU 22 -5.713 -11.797 -13.360 162 1HG GLU 22 1HG GLU 22 -6.991 -13.743 -12.488 163 2HG GLU 22 2HG GLU 22 -5.302 -13.858 -12.018 164 H LYS 23 H LYS 23 -3.073 -9.743 -10.655 165 HA LYS 23 HA LYS 23 -1.239 -10.159 -12.921 166 1HB LYS 23 1HB LYS 23 -2.198 -7.597 -11.597 167 2HB LYS 23 2HB LYS 23 -0.510 -7.665 -12.029 168 1HG LYS 23 1HG LYS 23 -1.612 -6.629 -13.875 169 2HG LYS 23 2HG LYS 23 -1.218 -8.251 -14.404 170 1HD LYS 23 1HD LYS 23 -3.545 -8.980 -13.908 171 2HD LYS 23 2HD LYS 23 -3.923 -7.359 -13.345 172 1HE LYS 23 1HE LYS 23 -3.441 -6.468 -15.612 173 2HE LYS 23 2HE LYS 23 -3.039 -8.090 -16.167 174 1HZ LYS 23 1HZ LYS 23 -5.278 -8.792 -15.610 175 2HZ LYS 23 2HZ LYS 23 -5.662 -7.217 -15.104 176 3HZ LYS 23 3HZ LYS 23 -5.289 -7.518 -16.734 177 H LYS 24 H LYS 24 -1.086 -8.345 -9.937 178 HA LYS 24 HA LYS 24 0.503 -8.325 -8.252 179 1HB LYS 24 1HB LYS 24 0.149 -10.911 -7.145 180 2HB LYS 24 2HB LYS 24 -0.860 -9.525 -6.854 181 1HG LYS 24 1HG LYS 24 -2.329 -10.205 -8.785 182 2HG LYS 24 2HG LYS 24 -1.351 -11.653 -8.974 183 1HD LYS 24 1HD LYS 24 -1.985 -12.399 -6.717 184 2HD LYS 24 2HD LYS 24 -2.874 -10.907 -6.446 185 1HE LYS 24 1HE LYS 24 -4.358 -11.453 -8.391 186 2HE LYS 24 2HE LYS 24 -3.493 -12.969 -8.611 187 1HZ LYS 24 1HZ LYS 24 -4.135 -13.561 -6.328 188 2HZ LYS 24 2HZ LYS 24 -5.078 -12.150 -6.253 189 3HZ LYS 24 3HZ LYS 24 -5.457 -13.365 -7.376 190 H ASN 25 H ASN 25 1.902 -8.456 -10.312 191 HA ASN 25 HA ASN 25 4.237 -9.975 -9.561 192 1HB ASN 25 1HB ASN 25 2.457 -10.847 -11.811 193 2HB ASN 25 2HB ASN 25 4.127 -10.686 -12.310 194 1HD2 ASN 25 2HD2 ASN 25 1.921 -12.583 -10.407 195 2HD2 ASN 25 1HD2 ASN 25 3.048 -13.755 -9.914 196 H ASP 26 H ASP 26 3.944 -7.420 -9.371 197 HA ASP 26 HA ASP 26 5.929 -6.255 -11.056 198 1HB ASP 26 1HB ASP 26 3.236 -6.113 -12.091 199 2HB ASP 26 2HB ASP 26 3.587 -4.516 -11.466 200 H ARG 27 H ARG 27 6.900 -4.920 -9.773 201 HA ARG 27 HA ARG 27 5.691 -4.058 -7.234 202 1HB ARG 27 1HB ARG 27 7.993 -4.854 -7.107 203 2HB ARG 27 2HB ARG 27 8.492 -3.818 -8.425 204 1HG ARG 27 1HG ARG 27 8.139 -1.789 -7.055 205 2HG ARG 27 2HG ARG 27 7.443 -2.753 -5.773 206 1HD ARG 27 1HD ARG 27 9.702 -3.889 -5.500 207 2HD ARG 27 2HD ARG 27 10.327 -2.841 -6.764 208 HE ARG 27 HE ARG 27 10.412 -1.098 -5.214 209 1HH1 ARG 27 1HH1 ARG 27 8.257 -3.574 -4.088 210 2HH1 ARG 27 2HH1 ARG 27 8.004 -2.808 -2.556 211 1HH2 ARG 27 1HH2 ARG 27 10.102 -0.120 -3.273 212 2HH2 ARG 27 2HH2 ARG 27 9.059 -0.837 -2.088 213 H ILE 28 H ILE 28 4.148 -2.668 -7.965 214 HA ILE 28 HA ILE 28 4.580 -0.464 -9.714 215 HB ILE 28 HB ILE 28 2.382 -0.560 -7.668 216 1HG1 ILE 28 1HG1 ILE 28 2.236 -2.098 -10.337 217 2HG1 ILE 28 2HG1 ILE 28 2.660 -2.961 -8.894 218 1HG2 ILE 28 1HG2 ILE 28 2.466 0.213 -10.586 219 2HG2 ILE 28 2HG2 ILE 28 1.030 0.288 -9.578 220 3HG2 ILE 28 3HG2 ILE 28 2.375 1.330 -9.235 221 1HD1 ILE 28 1HD1 ILE 28 0.486 -2.260 -7.859 222 2HD1 ILE 28 2HD1 ILE 28 0.028 -1.521 -9.381 223 3HD1 ILE 28 3HD1 ILE 28 0.300 -3.251 -9.295 224 H CYS 29 H CYS 29 3.792 1.750 -8.566 225 HA CYS 29 HA CYS 29 5.298 2.247 -6.036 226 1HB CYS 29 1HB CYS 29 6.524 2.798 -8.242 227 2HB CYS 29 2HB CYS 29 5.329 4.021 -8.505 228 H THR 30 H THR 30 3.369 2.236 -5.026 229 HA THR 30 HA THR 30 1.524 4.519 -5.521 230 HB THR 30 HB THR 30 0.441 2.510 -6.508 231 HG1 THR 30 HG1 THR 30 -1.358 2.475 -5.081 232 1HG2 THR 30 1HG2 THR 30 1.687 0.750 -5.132 233 2HG2 THR 30 2HG2 THR 30 0.746 1.243 -3.731 234 3HG2 THR 30 3HG2 THR 30 -0.049 0.520 -5.121 235 H ASN 31 H ASN 31 0.011 4.691 -3.560 236 HA ASN 31 HA ASN 31 1.532 4.290 -1.036 237 1HB ASN 31 1HB ASN 31 1.816 6.567 -1.501 238 2HB ASN 31 2HB ASN 31 0.276 6.727 -2.296 239 1HD2 ASN 31 2HD2 ASN 31 -0.262 8.596 -1.154 240 2HD2 ASN 31 1HD2 ASN 31 -0.635 8.603 0.496 241 H CYS 32 H CYS 32 0.451 3.750 0.765 242 HA CYS 32 HA CYS 32 -1.911 2.220 0.580 243 1HB CYS 32 1HB CYS 32 -0.559 1.872 2.517 244 2HB CYS 32 2HB CYS 32 -0.561 3.570 2.932 245 H CYS 33 H CYS 33 -1.540 5.467 1.942 246 HA CYS 33 HA CYS 33 -4.317 5.949 2.350 247 1HB CYS 33 1HB CYS 33 -2.708 7.318 3.469 248 2HB CYS 33 2HB CYS 33 -1.963 7.796 1.966 249 H ALA 34 H ALA 34 -2.250 6.299 -0.438 250 HA ALA 34 HA ALA 34 -4.204 7.794 -2.029 251 1HB ALA 34 1HB ALA 34 -1.694 6.319 -2.873 252 2HB ALA 34 2HB ALA 34 -2.635 7.412 -3.866 253 3HB ALA 34 3HB ALA 34 -1.778 8.031 -2.461 254 H GLY 35 H GLY 35 -3.631 4.551 -1.237 255 1HA GLY 35 1HA GLY 35 -4.477 3.113 -3.429 256 2HA GLY 35 2HA GLY 35 -4.600 2.562 -1.777 257 H THR 36 H THR 36 -6.502 1.458 -2.653 258 HA THR 36 HA THR 36 -8.916 3.184 -2.650 259 HB THR 36 HB THR 36 -8.917 0.505 -3.909 260 HG1 THR 36 HG1 THR 36 -7.106 1.567 -4.787 261 1HG2 THR 36 1HG2 THR 36 -10.183 3.165 -4.772 262 2HG2 THR 36 2HG2 THR 36 -10.421 1.624 -5.579 263 3HG2 THR 36 3HG2 THR 36 -11.064 1.868 -3.975 264 H LYS 37 H LYS 37 -10.902 1.611 -2.244 265 HA LYS 37 HA LYS 37 -10.421 0.265 0.363 266 1HB LYS 37 1HB LYS 37 -12.171 1.757 0.702 267 2HB LYS 37 2HB LYS 37 -12.703 1.710 -0.964 268 1HG LYS 37 1HG LYS 37 -13.755 -0.514 -0.600 269 2HG LYS 37 2HG LYS 37 -13.208 -0.515 1.065 270 1HD LYS 37 1HD LYS 37 -15.113 1.524 -0.178 271 2HD LYS 37 2HD LYS 37 -15.607 0.170 0.815 272 1HE LYS 37 1HE LYS 37 -13.865 2.501 1.751 273 2HE LYS 37 2HE LYS 37 -15.539 2.209 2.181 274 1HZ LYS 37 1HZ LYS 37 -14.763 0.014 3.073 275 2HZ LYS 37 2HZ LYS 37 -13.179 0.604 2.917 276 3HZ LYS 37 3HZ LYS 37 -14.281 1.395 3.939 277 H GLY 38 H GLY 38 -10.974 -1.887 0.630 278 1HA GLY 38 1HA GLY 38 -11.754 -4.045 0.032 279 2HA GLY 38 2HA GLY 38 -12.163 -3.444 -1.571 280 H CYS 39 H CYS 39 -9.602 -2.245 -2.069 281 HA CYS 39 HA CYS 39 -8.169 -4.488 -3.153 282 1HB CYS 39 1HB CYS 39 -7.310 -1.618 -2.756 283 2HB CYS 39 2HB CYS 39 -6.587 -2.738 -3.878 284 H LYS 40 H LYS 40 -5.825 -4.835 -2.692 285 HA LYS 40 HA LYS 40 -5.071 -4.398 0.166 286 1HB LYS 40 1HB LYS 40 -4.392 -6.799 0.300 287 2HB LYS 40 2HB LYS 40 -6.111 -6.585 0.062 288 1HG LYS 40 1HG LYS 40 -5.602 -6.880 -2.475 289 2HG LYS 40 2HG LYS 40 -4.030 -7.422 -1.980 290 1HD LYS 40 1HD LYS 40 -5.340 -9.397 -2.277 291 2HD LYS 40 2HD LYS 40 -5.196 -9.183 -0.543 292 1HE LYS 40 1HE LYS 40 -7.539 -9.728 -1.209 293 2HE LYS 40 2HE LYS 40 -7.469 -8.139 -0.470 294 1HZ LYS 40 1HZ LYS 40 -7.249 -8.475 -3.393 295 2HZ LYS 40 2HZ LYS 40 -8.761 -8.409 -2.622 296 3HZ LYS 40 3HZ LYS 40 -7.691 -7.095 -2.510 297 H TYR 41 H TYR 41 -3.277 -3.363 0.226 298 HA TYR 41 HA TYR 41 -1.246 -3.575 -1.868 299 1HB TYR 41 1HB TYR 41 -1.768 -1.518 0.300 300 2HB TYR 41 2HB TYR 41 -0.450 -1.463 -0.835 301 HD1 TYR 41 HD1 TYR 41 -4.183 -1.663 -0.713 302 HD2 TYR 41 HD2 TYR 41 -0.783 -0.409 -2.946 303 HE1 TYR 41 HE1 TYR 41 -5.645 -0.557 -2.323 304 HE2 TYR 41 HE2 TYR 41 -2.261 0.697 -4.561 305 HH TYR 41 HH TYR 41 -5.594 1.195 -3.964 306 H PHE 42 H PHE 42 0.334 -4.870 -1.509 307 HA PHE 42 HA PHE 42 1.473 -5.175 1.214 308 1HB PHE 42 1HB PHE 42 2.226 -7.478 -0.214 309 2HB PHE 42 2HB PHE 42 1.012 -7.344 1.021 310 HD1 PHE 42 HD1 PHE 42 1.171 -6.653 -2.668 311 HD2 PHE 42 HD2 PHE 42 -0.991 -8.299 0.620 312 HE1 PHE 42 HE1 PHE 42 -0.594 -7.427 -4.187 313 HE2 PHE 42 HE2 PHE 42 -2.734 -9.067 -0.903 314 HZ PHE 42 HZ PHE 42 -2.540 -8.639 -3.303 315 H SER 43 H SER 43 3.615 -5.633 1.385 316 HA SER 43 HA SER 43 5.384 -4.096 -0.220 317 1HB SER 43 1HB SER 43 5.932 -6.120 1.997 318 2HB SER 43 2HB SER 43 6.980 -4.835 1.427 319 HG SER 43 HG SER 43 5.972 -3.543 2.676 320 H ASP 44 H ASP 44 7.566 -5.196 -0.544 321 HA ASP 44 HA ASP 44 7.177 -7.265 -2.622 322 1HB ASP 44 1HB ASP 44 8.758 -4.976 -2.502 323 2HB ASP 44 2HB ASP 44 9.931 -6.229 -2.174 324 H ASP 45 H ASP 45 8.816 -6.771 0.402 325 HA ASP 45 HA ASP 45 10.298 -9.255 0.398 326 1HB ASP 45 1HB ASP 45 10.805 -8.664 2.748 327 2HB ASP 45 2HB ASP 45 10.982 -7.256 1.717 328 H GLY 46 H GLY 46 7.039 -8.886 0.505 329 1HA GLY 46 1HA GLY 46 5.417 -10.418 0.910 330 2HA GLY 46 2HA GLY 46 6.616 -11.496 1.638 331 H THR 47 H THR 47 5.114 -8.354 2.205 332 HA THR 47 HA THR 47 4.225 -9.062 4.823 333 HB THR 47 HB THR 47 6.328 -6.899 4.305 334 HG1 THR 47 HG1 THR 47 7.481 -8.189 5.716 335 1HG2 THR 47 1HG2 THR 47 4.896 -7.571 6.957 336 2HG2 THR 47 2HG2 THR 47 6.158 -6.364 6.756 337 3HG2 THR 47 3HG2 THR 47 4.576 -6.104 6.046 338 H PHE 48 H PHE 48 2.200 -8.492 4.651 339 HA PHE 48 HA PHE 48 1.141 -6.620 2.808 340 1HB PHE 48 1HB PHE 48 -0.175 -8.466 3.786 341 2HB PHE 48 2HB PHE 48 -0.057 -7.733 5.377 342 HD1 PHE 48 HD1 PHE 48 -0.988 -6.600 1.904 343 HD2 PHE 48 HD2 PHE 48 -1.989 -6.602 6.048 344 HE1 PHE 48 HE1 PHE 48 -2.983 -5.274 1.427 345 HE2 PHE 48 HE2 PHE 48 -3.989 -5.268 5.558 346 HZ PHE 48 HZ PHE 48 -4.478 -4.607 3.247 347 H VAL 49 H VAL 49 0.570 -4.532 2.887 348 HA VAL 49 HA VAL 49 1.517 -2.989 5.270 349 HB VAL 49 HB VAL 49 0.939 -1.978 2.441 350 1HG1 VAL 49 1HG1 VAL 49 2.405 -0.708 4.808 351 2HG1 VAL 49 2HG1 VAL 49 2.226 0.021 3.227 352 3HG1 VAL 49 3HG1 VAL 49 0.816 -0.225 4.238 353 1HG2 VAL 49 1HG2 VAL 49 3.579 -2.708 3.796 354 2HG2 VAL 49 2HG2 VAL 49 2.833 -3.600 2.481 355 3HG2 VAL 49 3HG2 VAL 49 3.441 -1.981 2.210 356 H CYS 50 H CYS 50 -1.180 -2.605 2.827 357 HA CYS 50 HA CYS 50 -3.128 -2.538 4.986 358 1HB CYS 50 1HB CYS 50 -3.507 -0.291 5.272 359 2HB CYS 50 2HB CYS 50 -1.842 -0.136 4.795 360 H GLU 51 H GLU 51 -5.335 -1.825 4.132 361 HA GLU 51 HA GLU 51 -5.621 -2.971 1.447 362 1HB GLU 51 1HB GLU 51 -8.041 -2.180 3.084 363 2HB GLU 51 2HB GLU 51 -7.743 -3.613 2.135 364 1HG GLU 51 1HG GLU 51 -6.369 -4.582 3.918 365 2HG GLU 51 2HG GLU 51 -6.539 -3.124 4.883 366 H GLY 52 H GLY 52 -4.485 -0.742 1.112 367 1HA GLY 52 1HA GLY 52 -4.518 1.353 0.094 368 2HA GLY 52 2HA GLY 52 -6.017 0.819 -0.642 369 H GLU 53 H GLU 53 -7.048 2.846 -0.506 370 HA GLU 53 HA GLU 53 -8.520 3.466 1.804 371 1HB GLU 53 1HB GLU 53 -6.238 4.222 2.714 372 2HB GLU 53 2HB GLU 53 -6.159 5.345 1.386 373 1HG GLU 53 1HG GLU 53 -8.613 6.046 2.461 374 2HG GLU 53 2HG GLU 53 -7.827 5.391 3.878 375 H SER 54 H SER 54 -9.528 3.312 -0.590 376 HA SER 54 HA SER 54 -9.530 5.253 -2.505 377 1HB SER 54 1HB SER 54 -11.134 3.339 -2.490 378 2HB SER 54 2HB SER 54 -12.097 4.158 -1.262 379 HG SER 54 HG SER 54 -12.371 5.868 -2.685 Start of MODEL 10 1 1H MET 1 1H MET 1 -10.043 14.373 3.201 2 2H MET 1 2H MET 1 -9.875 14.512 4.885 3 3H MET 1 3H MET 1 -10.004 15.908 3.925 4 HA MET 1 HA MET 1 -7.755 15.654 4.556 5 1HB MET 1 1HB MET 1 -8.342 12.866 4.315 6 2HB MET 1 2HB MET 1 -7.137 13.176 3.087 7 1HG MET 1 1HG MET 1 -5.723 14.300 4.821 8 2HG MET 1 2HG MET 1 -6.918 13.892 6.020 9 1HE MET 1 1HE MET 1 -4.828 12.190 3.167 10 2HE MET 1 2HE MET 1 -3.710 12.961 4.319 11 3HE MET 1 3HE MET 1 -3.762 11.214 4.158 12 H LYS 2 H LYS 2 -6.068 16.183 3.169 13 HA LYS 2 HA LYS 2 -6.901 17.200 0.603 14 1HB LYS 2 1HB LYS 2 -5.246 18.359 2.059 15 2HB LYS 2 2HB LYS 2 -4.155 17.007 1.917 16 1HG LYS 2 1HG LYS 2 -3.284 18.657 0.461 17 2HG LYS 2 2HG LYS 2 -4.027 17.496 -0.603 18 1HD LYS 2 1HD LYS 2 -5.558 19.960 0.298 19 2HD LYS 2 2HD LYS 2 -4.401 20.068 -1.007 20 1HE LYS 2 1HE LYS 2 -5.677 18.299 -2.254 21 2HE LYS 2 2HE LYS 2 -6.899 18.314 -0.992 22 1HZ LYS 2 1HZ LYS 2 -7.250 20.652 -1.386 23 2HZ LYS 2 2HZ LYS 2 -6.101 20.626 -2.636 24 3HZ LYS 2 3HZ LYS 2 -7.533 19.725 -2.781 25 H ALA 3 H ALA 3 -6.157 16.561 -1.445 26 HA ALA 3 HA ALA 3 -6.226 13.976 -2.200 27 1HB ALA 3 1HB ALA 3 -6.268 15.850 -3.779 28 2HB ALA 3 2HB ALA 3 -4.567 16.172 -3.486 29 3HB ALA 3 3HB ALA 3 -5.055 14.688 -4.293 30 H CYS 4 H CYS 4 -4.965 12.212 -2.147 31 HA CYS 4 HA CYS 4 -2.544 12.137 -0.652 32 1HB CYS 4 1HB CYS 4 -3.745 10.122 -2.540 33 2HB CYS 4 2HB CYS 4 -2.458 9.799 -1.423 34 H THR 5 H THR 5 -0.562 11.099 -1.410 35 HA THR 5 HA THR 5 0.511 12.450 -3.754 36 HB THR 5 HB THR 5 1.867 10.747 -1.567 37 HG1 THR 5 HG1 THR 5 0.734 12.580 -0.803 38 1HG2 THR 5 1HG2 THR 5 3.166 11.267 -3.684 39 2HG2 THR 5 2HG2 THR 5 2.871 12.976 -3.383 40 3HG2 THR 5 3HG2 THR 5 3.832 12.029 -2.240 41 H LEU 6 H LEU 6 0.721 11.472 -5.548 42 HA LEU 6 HA LEU 6 -0.102 8.732 -6.013 43 1HB LEU 6 1HB LEU 6 1.299 10.658 -7.910 44 2HB LEU 6 2HB LEU 6 0.387 9.236 -8.378 45 HG LEU 6 HG LEU 6 -0.792 11.665 -6.930 46 1HD1 LEU 6 1HD1 LEU 6 -1.051 10.772 -9.837 47 2HD1 LEU 6 2HD1 LEU 6 -1.895 12.132 -9.110 48 3HD1 LEU 6 3HD1 LEU 6 -0.148 12.171 -9.274 49 1HD2 LEU 6 1HD2 LEU 6 -2.173 9.224 -8.149 50 2HD2 LEU 6 2HD2 LEU 6 -2.035 9.550 -6.429 51 3HD2 LEU 6 3HD2 LEU 6 -2.987 10.611 -7.443 52 H ASN 7 H ASN 7 2.802 9.972 -4.946 53 HA ASN 7 HA ASN 7 4.737 8.546 -6.289 54 1HB ASN 7 1HB ASN 7 4.658 9.472 -3.392 55 2HB ASN 7 2HB ASN 7 6.119 8.931 -4.198 56 1HD2 ASN 7 2HD2 ASN 7 6.439 11.378 -3.336 57 2HD2 ASN 7 1HD2 ASN 7 6.229 12.557 -4.538 58 H CYS 8 H CYS 8 6.200 7.005 -4.939 59 HA CYS 8 HA CYS 8 4.566 4.597 -4.290 60 1HB CYS 8 1HB CYS 8 7.464 4.216 -4.500 61 2HB CYS 8 2HB CYS 8 6.169 3.379 -5.296 62 H ASP 9 H ASP 9 4.508 3.831 -2.300 63 HA ASP 9 HA ASP 9 5.981 5.212 -0.153 64 1HB ASP 9 1HB ASP 9 3.579 4.794 0.126 65 2HB ASP 9 2HB ASP 9 3.822 3.087 -0.123 66 HA PRO 10 HA PRO 10 9.321 2.468 -0.392 67 1HB PRO 10 1HB PRO 10 10.030 2.390 2.390 68 2HB PRO 10 2HB PRO 10 10.692 3.430 1.141 69 1HG PRO 10 1HG PRO 10 8.745 4.084 3.239 70 2HG PRO 10 2HG PRO 10 9.702 5.168 2.242 71 1HD PRO 10 1HD PRO 10 6.938 4.729 1.975 72 2HD PRO 10 2HD PRO 10 7.975 5.470 0.743 73 H ARG 11 H ARG 11 6.982 1.769 2.025 74 HA ARG 11 HA ARG 11 7.744 -1.057 2.306 75 1HB ARG 11 1HB ARG 11 5.421 0.567 3.429 76 2HB ARG 11 2HB ARG 11 5.591 -1.150 3.698 77 1HG ARG 11 1HG ARG 11 6.503 0.061 5.615 78 2HG ARG 11 2HG ARG 11 7.780 -0.802 4.797 79 1HD ARG 11 1HD ARG 11 8.462 1.518 5.469 80 2HD ARG 11 2HD ARG 11 8.581 1.287 3.742 81 HE ARG 11 HE ARG 11 6.817 2.832 3.450 82 1HH1 ARG 11 1HH1 ARG 11 7.036 1.817 6.760 83 2HH1 ARG 11 2HH1 ARG 11 5.902 3.003 7.309 84 1HH2 ARG 11 1HH2 ARG 11 5.400 4.329 4.125 85 2HH2 ARG 11 2HH2 ARG 11 4.951 4.447 5.794 86 H ILE 12 H ILE 12 5.399 0.855 0.548 87 HA ILE 12 HA ILE 12 3.790 -1.426 -0.267 88 HB ILE 12 HB ILE 12 3.992 1.405 -1.392 89 1HG1 ILE 12 1HG1 ILE 12 3.193 1.253 0.997 90 2HG1 ILE 12 2HG1 ILE 12 1.995 1.922 -0.092 91 1HG2 ILE 12 1HG2 ILE 12 1.889 -0.717 -1.987 92 2HG2 ILE 12 2HG2 ILE 12 1.794 0.970 -2.460 93 3HG2 ILE 12 3HG2 ILE 12 3.051 -0.056 -3.119 94 1HD1 ILE 12 1HD1 ILE 12 2.057 -0.953 0.849 95 2HD1 ILE 12 2HD1 ILE 12 1.009 0.305 1.495 96 3HD1 ILE 12 3HD1 ILE 12 0.823 -0.221 -0.163 97 H ALA 13 H ALA 13 3.834 -2.568 -1.982 98 HA ALA 13 HA ALA 13 6.077 -2.277 -3.952 99 1HB ALA 13 1HB ALA 13 6.272 -4.250 -2.462 100 2HB ALA 13 2HB ALA 13 4.698 -4.823 -2.981 101 3HB ALA 13 3HB ALA 13 6.009 -4.755 -4.124 102 H TYR 14 H TYR 14 3.000 -3.870 -3.490 103 HA TYR 14 HA TYR 14 1.751 -2.598 -5.778 104 1HB TYR 14 1HB TYR 14 1.348 -4.920 -6.935 105 2HB TYR 14 2HB TYR 14 2.989 -4.305 -7.020 106 HD1 TYR 14 HD1 TYR 14 0.810 -6.716 -5.203 107 HD2 TYR 14 HD2 TYR 14 4.792 -5.408 -5.947 108 HE1 TYR 14 HE1 TYR 14 1.683 -8.700 -4.065 109 HE2 TYR 14 HE2 TYR 14 5.656 -7.386 -4.811 110 HH TYR 14 HH TYR 14 4.701 -8.996 -2.941 111 H GLY 15 H GLY 15 -0.413 -4.070 -6.192 112 1HA GLY 15 1HA GLY 15 -1.483 -5.209 -3.764 113 2HA GLY 15 2HA GLY 15 -2.075 -3.573 -4.013 114 H VAL 16 H VAL 16 -3.576 -5.886 -3.846 115 HA VAL 16 HA VAL 16 -4.663 -6.252 -6.610 116 HB VAL 16 HB VAL 16 -5.306 -7.974 -4.162 117 1HG1 VAL 16 1HG1 VAL 16 -5.569 -8.408 -7.175 118 2HG1 VAL 16 2HG1 VAL 16 -6.034 -9.574 -5.944 119 3HG1 VAL 16 3HG1 VAL 16 -6.912 -8.064 -6.101 120 1HG2 VAL 16 1HG2 VAL 16 -2.857 -8.088 -4.730 121 2HG2 VAL 16 2HG2 VAL 16 -3.679 -9.591 -5.098 122 3HG2 VAL 16 3HG2 VAL 16 -3.278 -8.466 -6.385 123 H CYS 17 H CYS 17 -6.267 -5.004 -7.068 124 HA CYS 17 HA CYS 17 -8.213 -4.178 -4.967 125 1HB CYS 17 1HB CYS 17 -7.569 -2.919 -7.628 126 2HB CYS 17 2HB CYS 17 -8.788 -2.339 -6.529 127 HA PRO 18 HA PRO 18 -11.239 -6.572 -7.275 128 1HB PRO 18 1HB PRO 18 -13.507 -5.304 -6.167 129 2HB PRO 18 2HB PRO 18 -12.713 -6.737 -5.536 130 1HG PRO 18 1HG PRO 18 -12.646 -3.987 -4.497 131 2HG PRO 18 2HG PRO 18 -12.210 -5.485 -3.691 132 1HD PRO 18 1HD PRO 18 -10.400 -3.524 -4.715 133 2HD PRO 18 2HD PRO 18 -9.979 -5.133 -4.101 134 H ARG 19 H ARG 19 -12.727 -6.185 -8.961 135 HA ARG 19 HA ARG 19 -13.439 -5.132 -10.897 136 1HB ARG 19 1HB ARG 19 -13.472 -2.534 -9.281 137 2HB ARG 19 2HB ARG 19 -14.515 -2.970 -10.611 138 1HG ARG 19 1HG ARG 19 -15.963 -4.171 -9.317 139 2HG ARG 19 2HG ARG 19 -14.722 -4.857 -8.293 140 1HD ARG 19 1HD ARG 19 -15.673 -1.974 -8.147 141 2HD ARG 19 2HD ARG 19 -16.172 -3.264 -7.043 142 HE ARG 19 HE ARG 19 -13.457 -3.394 -6.860 143 1HH1 ARG 19 1HH1 ARG 19 -15.682 -0.739 -6.657 144 2HH1 ARG 19 2HH1 ARG 19 -14.663 0.168 -5.590 145 1HH2 ARG 19 1HH2 ARG 19 -12.167 -2.268 -5.520 146 2HH2 ARG 19 2HH2 ARG 19 -12.645 -0.710 -4.932 147 H SER 20 H SER 20 -10.664 -5.211 -10.214 148 HA SER 20 HA SER 20 -9.660 -3.336 -12.281 149 1HB SER 20 1HB SER 20 -9.402 -2.128 -10.071 150 2HB SER 20 2HB SER 20 -8.411 -3.474 -9.485 151 HG SER 20 HG SER 20 -7.914 -2.004 -11.858 152 H GLU 21 H GLU 21 -9.981 -5.769 -12.784 153 HA GLU 21 HA GLU 21 -9.174 -7.869 -13.297 154 1HB GLU 21 1HB GLU 21 -7.387 -7.646 -14.992 155 2HB GLU 21 2HB GLU 21 -8.605 -6.408 -15.130 156 1HG GLU 21 1HG GLU 21 -6.459 -5.360 -15.477 157 2HG GLU 21 2HG GLU 21 -7.065 -4.783 -13.947 158 H GLU 22 H GLU 22 -7.804 -6.963 -10.619 159 HA GLU 22 HA GLU 22 -6.337 -7.889 -9.105 160 1HB GLU 22 1HB GLU 22 -7.453 -10.004 -9.622 161 2HB GLU 22 2HB GLU 22 -6.490 -10.245 -11.062 162 1HG GLU 22 1HG GLU 22 -4.433 -10.475 -9.694 163 2HG GLU 22 2HG GLU 22 -5.360 -10.183 -8.236 164 H LYS 23 H LYS 23 -4.200 -7.622 -8.651 165 HA LYS 23 HA LYS 23 -2.175 -8.100 -10.680 166 1HB LYS 23 1HB LYS 23 -2.899 -5.850 -11.291 167 2HB LYS 23 2HB LYS 23 -2.762 -5.296 -9.634 168 1HG LYS 23 1HG LYS 23 -0.287 -5.678 -9.703 169 2HG LYS 23 2HG LYS 23 -0.419 -6.260 -11.349 170 1HD LYS 23 1HD LYS 23 -1.220 -3.465 -10.434 171 2HD LYS 23 2HD LYS 23 0.323 -3.859 -11.162 172 1HE LYS 23 1HE LYS 23 -0.865 -4.643 -13.227 173 2HE LYS 23 2HE LYS 23 -2.399 -4.170 -12.507 174 1HZ LYS 23 1HZ LYS 23 -1.578 -1.913 -12.328 175 2HZ LYS 23 2HZ LYS 23 -0.119 -2.373 -13.065 176 3HZ LYS 23 3HZ LYS 23 -1.575 -2.459 -13.938 177 H LYS 24 H LYS 24 -0.578 -9.024 -9.761 178 HA LYS 24 HA LYS 24 0.712 -8.055 -7.334 179 1HB LYS 24 1HB LYS 24 0.470 -10.743 -6.551 180 2HB LYS 24 2HB LYS 24 -0.529 -9.457 -5.932 181 1HG LYS 24 1HG LYS 24 -2.298 -9.944 -7.575 182 2HG LYS 24 2HG LYS 24 -1.282 -11.151 -8.340 183 1HD LYS 24 1HD LYS 24 -1.295 -12.518 -6.300 184 2HD LYS 24 2HD LYS 24 -2.185 -11.280 -5.430 185 1HE LYS 24 1HE LYS 24 -4.091 -11.540 -6.980 186 2HE LYS 24 2HE LYS 24 -3.209 -12.758 -7.897 187 1HZ LYS 24 1HZ LYS 24 -3.905 -12.978 -5.028 188 2HZ LYS 24 2HZ LYS 24 -4.788 -13.681 -6.298 189 3HZ LYS 24 3HZ LYS 24 -3.191 -14.177 -5.997 190 H ASN 25 H ASN 25 1.632 -7.920 -9.669 191 HA ASN 25 HA ASN 25 3.987 -9.579 -9.745 192 1HB ASN 25 1HB ASN 25 1.632 -10.298 -11.429 193 2HB ASN 25 2HB ASN 25 3.087 -10.101 -12.383 194 1HD2 ASN 25 2HD2 ASN 25 5.097 -11.270 -11.367 195 2HD2 ASN 25 1HD2 ASN 25 4.806 -12.819 -10.735 196 H ASP 26 H ASP 26 3.046 -6.809 -9.675 197 HA ASP 26 HA ASP 26 4.948 -5.673 -11.579 198 1HB ASP 26 1HB ASP 26 2.139 -5.771 -12.262 199 2HB ASP 26 2HB ASP 26 2.464 -4.112 -11.802 200 H ARG 27 H ARG 27 6.076 -4.501 -10.237 201 HA ARG 27 HA ARG 27 5.068 -3.503 -7.706 202 1HB ARG 27 1HB ARG 27 7.380 -4.231 -7.793 203 2HB ARG 27 2HB ARG 27 7.720 -3.244 -9.197 204 1HG ARG 27 1HG ARG 27 7.515 -1.161 -7.817 205 2HG ARG 27 2HG ARG 27 7.053 -2.127 -6.433 206 1HD ARG 27 1HD ARG 27 9.721 -2.300 -7.889 207 2HD ARG 27 2HD ARG 27 9.447 -1.431 -6.384 208 HE ARG 27 HE ARG 27 8.594 -4.084 -5.951 209 1HH1 ARG 27 1HH1 ARG 27 11.473 -2.324 -6.741 210 2HH1 ARG 27 2HH1 ARG 27 12.525 -3.459 -5.965 211 1HH2 ARG 27 1HH2 ARG 27 9.933 -5.546 -4.951 212 2HH2 ARG 27 2HH2 ARG 27 11.646 -5.301 -4.943 213 H ILE 28 H ILE 28 3.325 -2.201 -8.538 214 HA ILE 28 HA ILE 28 3.741 0.041 -10.242 215 HB ILE 28 HB ILE 28 1.472 0.170 -8.309 216 1HG1 ILE 28 1HG1 ILE 28 0.219 -1.499 -10.059 217 2HG1 ILE 28 2HG1 ILE 28 1.827 -2.163 -10.225 218 1HG2 ILE 28 1HG2 ILE 28 1.682 0.376 -11.306 219 2HG2 ILE 28 2HG2 ILE 28 0.236 0.719 -10.362 220 3HG2 ILE 28 3HG2 ILE 28 1.662 1.723 -10.174 221 1HD1 ILE 28 1HD1 ILE 28 1.894 -2.574 -7.776 222 2HD1 ILE 28 2HD1 ILE 28 0.287 -1.907 -7.615 223 3HD1 ILE 28 3HD1 ILE 28 0.538 -3.391 -8.517 224 H CYS 29 H CYS 29 3.061 2.275 -9.308 225 HA CYS 29 HA CYS 29 4.626 2.804 -6.809 226 1HB CYS 29 1HB CYS 29 5.641 3.738 -8.832 227 2HB CYS 29 2HB CYS 29 4.154 4.551 -9.240 228 H THR 30 H THR 30 3.177 2.917 -5.253 229 HA THR 30 HA THR 30 1.210 5.082 -5.258 230 HB THR 30 HB THR 30 -0.114 3.304 -6.388 231 HG1 THR 30 HG1 THR 30 -1.705 3.095 -4.723 232 1HG2 THR 30 1HG2 THR 30 1.173 1.290 -5.467 233 2HG2 THR 30 2HG2 THR 30 0.428 1.594 -3.904 234 3HG2 THR 30 3HG2 THR 30 -0.564 1.150 -5.280 235 H ASN 31 H ASN 31 0.019 5.121 -3.186 236 HA ASN 31 HA ASN 31 1.669 4.189 -0.870 237 1HB ASN 31 1HB ASN 31 0.220 6.866 -1.147 238 2HB ASN 31 2HB ASN 31 1.211 6.379 0.217 239 1HD2 ASN 31 2HD2 ASN 31 1.606 8.704 -1.532 240 2HD2 ASN 31 1HD2 ASN 31 3.154 8.516 -2.204 241 H CYS 32 H CYS 32 0.411 4.266 1.195 242 HA CYS 32 HA CYS 32 -1.941 2.651 1.014 243 1HB CYS 32 1HB CYS 32 -0.472 2.800 3.041 244 2HB CYS 32 2HB CYS 32 -1.057 4.416 3.332 245 H CYS 33 H CYS 33 -1.404 6.062 1.447 246 HA CYS 33 HA CYS 33 -4.090 6.909 1.889 247 1HB CYS 33 1HB CYS 33 -2.014 8.251 2.291 248 2HB CYS 33 2HB CYS 33 -1.804 8.408 0.573 249 H ALA 34 H ALA 34 -2.077 6.795 -1.005 250 HA ALA 34 HA ALA 34 -4.051 7.623 -2.891 251 1HB ALA 34 1HB ALA 34 -1.617 7.589 -3.379 252 2HB ALA 34 2HB ALA 34 -1.621 5.836 -3.288 253 3HB ALA 34 3HB ALA 34 -2.490 6.649 -4.580 254 H GLY 35 H GLY 35 -3.742 4.776 -1.135 255 1HA GLY 35 1HA GLY 35 -4.575 2.678 -2.656 256 2HA GLY 35 2HA GLY 35 -5.015 2.904 -0.970 257 H THR 36 H THR 36 -6.652 1.641 -2.970 258 HA THR 36 HA THR 36 -8.907 3.552 -3.153 259 HB THR 36 HB THR 36 -8.711 1.119 -4.874 260 HG1 THR 36 HG1 THR 36 -7.303 3.570 -4.999 261 1HG2 THR 36 1HG2 THR 36 -9.616 3.995 -5.475 262 2HG2 THR 36 2HG2 THR 36 -9.753 2.634 -6.572 263 3HG2 THR 36 3HG2 THR 36 -10.746 2.699 -5.139 264 H LYS 37 H LYS 37 -10.997 1.907 -3.645 265 HA LYS 37 HA LYS 37 -11.560 0.728 -1.059 266 1HB LYS 37 1HB LYS 37 -13.548 -0.079 -3.033 267 2HB LYS 37 2HB LYS 37 -13.719 1.014 -1.684 268 1HG LYS 37 1HG LYS 37 -12.756 2.851 -3.168 269 2HG LYS 37 2HG LYS 37 -12.812 1.711 -4.495 270 1HD LYS 37 1HD LYS 37 -15.258 1.438 -4.191 271 2HD LYS 37 2HD LYS 37 -15.222 2.550 -2.834 272 1HE LYS 37 1HE LYS 37 -14.426 3.260 -5.692 273 2HE LYS 37 2HE LYS 37 -15.939 3.705 -4.916 274 1HZ LYS 37 1HZ LYS 37 -14.607 4.866 -3.210 275 2HZ LYS 37 2HZ LYS 37 -13.218 4.559 -4.135 276 3HZ LYS 37 3HZ LYS 37 -14.462 5.526 -4.768 277 H GLY 38 H GLY 38 -11.836 -1.277 -0.455 278 1HA GLY 38 1HA GLY 38 -11.540 -3.560 -0.307 279 2HA GLY 38 2HA GLY 38 -12.007 -3.629 -1.992 280 H CYS 39 H CYS 39 -9.262 -1.755 -1.925 281 HA CYS 39 HA CYS 39 -7.663 -3.807 -3.100 282 1HB CYS 39 1HB CYS 39 -6.837 -1.134 -2.013 283 2HB CYS 39 2HB CYS 39 -5.907 -2.130 -3.085 284 H LYS 40 H LYS 40 -5.545 -4.367 -2.457 285 HA LYS 40 HA LYS 40 -4.929 -4.467 0.431 286 1HB LYS 40 1HB LYS 40 -6.072 -6.656 -1.029 287 2HB LYS 40 2HB LYS 40 -4.371 -7.032 -0.964 288 1HG LYS 40 1HG LYS 40 -5.352 -8.014 0.978 289 2HG LYS 40 2HG LYS 40 -4.451 -6.618 1.538 290 1HD LYS 40 1HD LYS 40 -6.575 -5.268 1.533 291 2HD LYS 40 2HD LYS 40 -7.459 -6.687 1.001 292 1HE LYS 40 1HE LYS 40 -6.721 -7.877 3.052 293 2HE LYS 40 2HE LYS 40 -5.886 -6.413 3.575 294 1HZ LYS 40 1HZ LYS 40 -8.219 -5.362 3.196 295 2HZ LYS 40 2HZ LYS 40 -8.755 -6.958 3.414 296 3HZ LYS 40 3HZ LYS 40 -7.866 -6.186 4.637 297 H TYR 41 H TYR 41 -3.179 -3.076 0.129 298 HA TYR 41 HA TYR 41 -1.275 -3.651 -2.017 299 1HB TYR 41 1HB TYR 41 -1.587 -1.343 -0.071 300 2HB TYR 41 2HB TYR 41 -0.304 -1.492 -1.247 301 HD1 TYR 41 HD1 TYR 41 -0.839 -1.460 -3.710 302 HD2 TYR 41 HD2 TYR 41 -3.797 -0.658 -0.758 303 HE1 TYR 41 HE1 TYR 41 -2.275 -0.458 -5.421 304 HE2 TYR 41 HE2 TYR 41 -5.228 0.347 -2.476 305 HH TYR 41 HH TYR 41 -5.392 1.018 -4.572 306 H PHE 42 H PHE 42 0.371 -4.922 -1.602 307 HA PHE 42 HA PHE 42 1.518 -5.085 1.124 308 1HB PHE 42 1HB PHE 42 2.328 -7.318 -0.527 309 2HB PHE 42 2HB PHE 42 1.403 -7.281 0.944 310 HD1 PHE 42 HD1 PHE 42 0.959 -6.747 -2.706 311 HD2 PHE 42 HD2 PHE 42 -0.719 -7.975 0.987 312 HE1 PHE 42 HE1 PHE 42 -1.074 -7.495 -3.883 313 HE2 PHE 42 HE2 PHE 42 -2.771 -8.728 -0.165 314 HZ PHE 42 HZ PHE 42 -2.948 -8.486 -2.589 315 H SER 43 H SER 43 3.671 -5.831 1.186 316 HA SER 43 HA SER 43 5.472 -4.187 -0.369 317 1HB SER 43 1HB SER 43 6.015 -6.388 1.648 318 2HB SER 43 2HB SER 43 7.089 -5.096 1.171 319 HG SER 43 HG SER 43 6.123 -3.778 2.449 320 H ASP 44 H ASP 44 7.502 -5.454 -0.988 321 HA ASP 44 HA ASP 44 6.681 -7.587 -2.903 322 1HB ASP 44 1HB ASP 44 8.331 -5.345 -3.205 323 2HB ASP 44 2HB ASP 44 9.502 -6.632 -3.023 324 H ASP 45 H ASP 45 7.503 -7.577 0.103 325 HA ASP 45 HA ASP 45 8.393 -10.287 0.274 326 1HB ASP 45 1HB ASP 45 10.593 -9.270 -0.421 327 2HB ASP 45 2HB ASP 45 10.496 -8.159 0.932 328 H GLY 46 H GLY 46 7.976 -7.147 1.743 329 1HA GLY 46 1HA GLY 46 7.867 -8.106 4.469 330 2HA GLY 46 2HA GLY 46 7.612 -6.457 3.881 331 H THR 47 H THR 47 5.920 -8.734 2.184 332 HA THR 47 HA THR 47 3.699 -9.025 1.720 333 HB THR 47 HB THR 47 4.388 -10.676 3.536 334 HG1 THR 47 HG1 THR 47 2.067 -10.076 2.498 335 1HG2 THR 47 1HG2 THR 47 2.614 -8.908 5.329 336 2HG2 THR 47 2HG2 THR 47 3.242 -10.494 5.740 337 3HG2 THR 47 3HG2 THR 47 4.337 -9.145 5.579 338 H PHE 48 H PHE 48 1.385 -8.790 3.094 339 HA PHE 48 HA PHE 48 0.175 -6.521 2.480 340 1HB PHE 48 1HB PHE 48 -1.083 -8.283 3.456 341 2HB PHE 48 2HB PHE 48 -0.218 -8.175 4.982 342 HD1 PHE 48 HD1 PHE 48 -2.648 -6.352 2.781 343 HD2 PHE 48 HD2 PHE 48 -0.844 -6.613 6.631 344 HE1 PHE 48 HE1 PHE 48 -4.249 -4.705 3.659 345 HE2 PHE 48 HE2 PHE 48 -2.436 -4.966 7.500 346 HZ PHE 48 HZ PHE 48 -4.125 -4.005 6.024 347 H VAL 49 H VAL 49 0.561 -4.529 2.621 348 HA VAL 49 HA VAL 49 1.691 -3.293 5.096 349 HB VAL 49 HB VAL 49 1.397 -2.143 2.315 350 1HG1 VAL 49 1HG1 VAL 49 2.969 -1.105 4.728 351 2HG1 VAL 49 2HG1 VAL 49 2.998 -0.386 3.130 352 3HG1 VAL 49 3HG1 VAL 49 1.520 -0.363 4.069 353 1HG2 VAL 49 1HG2 VAL 49 3.840 -3.277 3.704 354 2HG2 VAL 49 2HG2 VAL 49 2.995 -4.001 2.344 355 3HG2 VAL 49 3HG2 VAL 49 3.833 -2.478 2.138 356 H CYS 50 H CYS 50 -0.985 -2.828 2.743 357 HA CYS 50 HA CYS 50 -2.646 -1.635 4.852 358 1HB CYS 50 1HB CYS 50 -1.240 -0.153 2.840 359 2HB CYS 50 2HB CYS 50 -2.942 0.203 2.807 360 H GLU 51 H GLU 51 -4.877 -1.115 3.943 361 HA GLU 51 HA GLU 51 -5.576 -3.010 1.750 362 1HB GLU 51 1HB GLU 51 -7.939 -2.644 3.307 363 2HB GLU 51 2HB GLU 51 -6.856 -4.007 3.289 364 1HG GLU 51 1HG GLU 51 -5.504 -2.962 5.122 365 2HG GLU 51 2HG GLU 51 -6.736 -1.726 5.245 366 H GLY 52 H GLY 52 -4.838 -0.767 0.874 367 1HA GLY 52 1HA GLY 52 -5.401 1.048 -0.447 368 2HA GLY 52 2HA GLY 52 -6.991 0.323 -0.581 369 H GLU 53 H GLU 53 -7.869 2.515 -0.599 370 HA GLU 53 HA GLU 53 -8.540 3.405 2.089 371 1HB GLU 53 1HB GLU 53 -6.316 4.464 1.761 372 2HB GLU 53 2HB GLU 53 -6.901 5.264 0.315 373 1HG GLU 53 1HG GLU 53 -8.502 6.585 1.615 374 2HG GLU 53 2HG GLU 53 -8.178 5.650 3.066 375 H SER 54 H SER 54 -9.184 3.735 -1.399 376 HA SER 54 HA SER 54 -11.145 5.862 -0.936 377 1HB SER 54 1HB SER 54 -10.878 4.019 -3.360 378 2HB SER 54 2HB SER 54 -11.791 5.526 -3.285 379 HG SER 54 HG SER 54 -9.305 5.357 -3.851 Start of MODEL 11 1 1H MET 1 1H MET 1 -4.454 7.523 2.155 2 2H MET 1 2H MET 1 -3.441 8.828 2.549 3 3H MET 1 3H MET 1 -4.468 8.162 3.725 4 HA MET 1 HA MET 1 -6.195 9.346 3.106 5 1HB MET 1 1HB MET 1 -3.814 10.781 2.436 6 2HB MET 1 2HB MET 1 -4.902 11.083 1.101 7 1HG MET 1 1HG MET 1 -6.672 11.720 2.757 8 2HG MET 1 2HG MET 1 -5.512 11.494 4.037 9 1HE MET 1 1HE MET 1 -5.902 13.335 0.610 10 2HE MET 1 2HE MET 1 -7.189 13.898 1.705 11 3HE MET 1 3HE MET 1 -5.921 14.993 1.179 12 H LYS 2 H LYS 2 -7.319 10.486 1.107 13 HA LYS 2 HA LYS 2 -7.998 8.302 -0.696 14 1HB LYS 2 1HB LYS 2 -9.056 11.146 -0.521 15 2HB LYS 2 2HB LYS 2 -9.697 9.885 -1.558 16 1HG LYS 2 1HG LYS 2 -10.160 8.474 0.461 17 2HG LYS 2 2HG LYS 2 -9.500 9.726 1.486 18 1HD LYS 2 1HD LYS 2 -11.882 9.953 1.598 19 2HD LYS 2 2HD LYS 2 -11.307 11.292 0.632 20 1HE LYS 2 1HE LYS 2 -12.397 8.709 -0.572 21 2HE LYS 2 2HE LYS 2 -13.375 10.138 -0.293 22 1HZ LYS 2 1HZ LYS 2 -11.274 11.129 -1.646 23 2HZ LYS 2 2HZ LYS 2 -11.468 9.599 -2.359 24 3HZ LYS 2 3HZ LYS 2 -12.766 10.694 -2.326 25 H ALA 3 H ALA 3 -6.602 7.879 -2.172 26 HA ALA 3 HA ALA 3 -5.221 7.995 -4.013 27 1HB ALA 3 1HB ALA 3 -7.289 10.089 -4.777 28 2HB ALA 3 2HB ALA 3 -6.188 9.306 -5.900 29 3HB ALA 3 3HB ALA 3 -7.398 8.360 -5.053 30 H CYS 4 H CYS 4 -3.382 8.733 -3.009 31 HA CYS 4 HA CYS 4 -2.659 11.515 -2.733 32 1HB CYS 4 1HB CYS 4 -1.374 8.850 -2.395 33 2HB CYS 4 2HB CYS 4 -0.280 10.181 -2.571 34 H THR 5 H THR 5 -0.112 11.670 -3.663 35 HA THR 5 HA THR 5 -0.384 12.609 -6.306 36 HB THR 5 HB THR 5 2.171 12.002 -4.702 37 HG1 THR 5 HG1 THR 5 0.643 13.178 -3.542 38 1HG2 THR 5 1HG2 THR 5 1.449 14.249 -6.654 39 2HG2 THR 5 2HG2 THR 5 3.003 14.010 -5.860 40 3HG2 THR 5 3HG2 THR 5 2.477 12.897 -7.112 41 H LEU 6 H LEU 6 -0.486 9.500 -5.560 42 HA LEU 6 HA LEU 6 -0.257 7.528 -6.712 43 1HB LEU 6 1HB LEU 6 0.630 9.218 -9.101 44 2HB LEU 6 2HB LEU 6 -0.003 7.591 -9.136 45 HG LEU 6 HG LEU 6 -1.588 10.038 -8.223 46 1HD1 LEU 6 1HD1 LEU 6 -1.777 8.377 -10.769 47 2HD1 LEU 6 2HD1 LEU 6 -2.852 9.693 -10.327 48 3HD1 LEU 6 3HD1 LEU 6 -1.161 10.019 -10.660 49 1HD2 LEU 6 1HD2 LEU 6 -2.487 7.147 -8.634 50 2HD2 LEU 6 2HD2 LEU 6 -2.343 7.948 -7.077 51 3HD2 LEU 6 3HD2 LEU 6 -3.537 8.496 -8.233 52 H ASN 7 H ASN 7 2.237 9.284 -5.726 53 HA ASN 7 HA ASN 7 4.454 8.255 -7.038 54 1HB ASN 7 1HB ASN 7 4.186 9.264 -4.169 55 2HB ASN 7 2HB ASN 7 5.708 9.078 -5.024 56 1HD2 ASN 7 2HD2 ASN 7 4.964 11.586 -4.034 57 2HD2 ASN 7 1HD2 ASN 7 4.610 12.626 -5.328 58 H CYS 8 H CYS 8 6.136 7.016 -5.574 59 HA CYS 8 HA CYS 8 4.852 4.450 -4.761 60 1HB CYS 8 1HB CYS 8 7.760 4.461 -5.123 61 2HB CYS 8 2HB CYS 8 6.551 3.366 -5.721 62 H ASP 9 H ASP 9 4.967 3.691 -2.773 63 HA ASP 9 HA ASP 9 6.505 5.205 -0.746 64 1HB ASP 9 1HB ASP 9 4.110 4.816 -0.311 65 2HB ASP 9 2HB ASP 9 4.324 3.102 -0.549 66 HA PRO 10 HA PRO 10 9.716 2.341 -1.433 67 1HB PRO 10 1HB PRO 10 10.922 2.427 1.163 68 2HB PRO 10 2HB PRO 10 11.342 3.396 -0.241 69 1HG PRO 10 1HG PRO 10 9.797 4.164 2.143 70 2HG PRO 10 2HG PRO 10 10.580 5.196 0.955 71 1HD PRO 10 1HD PRO 10 7.802 4.789 1.176 72 2HD PRO 10 2HD PRO 10 8.623 5.458 -0.246 73 H ARG 11 H ARG 11 7.831 1.923 1.411 74 HA ARG 11 HA ARG 11 8.542 -0.847 1.902 75 1HB ARG 11 1HB ARG 11 7.990 0.367 3.791 76 2HB ARG 11 2HB ARG 11 6.711 1.249 3.035 77 1HG ARG 11 1HG ARG 11 5.593 -1.271 3.015 78 2HG ARG 11 2HG ARG 11 6.700 -1.442 4.365 79 1HD ARG 11 1HD ARG 11 4.499 -0.581 5.100 80 2HD ARG 11 2HD ARG 11 5.732 0.648 5.373 81 HE ARG 11 HE ARG 11 4.562 0.924 2.749 82 1HH1 ARG 11 1HH1 ARG 11 3.962 1.502 6.109 83 2HH1 ARG 11 2HH1 ARG 11 2.882 2.820 5.802 84 1HH2 ARG 11 1HH2 ARG 11 3.210 2.578 2.333 85 2HH2 ARG 11 2HH2 ARG 11 2.445 3.440 3.626 86 H ILE 12 H ILE 12 5.976 0.893 0.222 87 HA ILE 12 HA ILE 12 4.306 -1.448 -0.215 88 HB ILE 12 HB ILE 12 4.358 1.268 -1.595 89 1HG1 ILE 12 1HG1 ILE 12 3.770 1.321 0.861 90 2HG1 ILE 12 2HG1 ILE 12 2.511 1.940 -0.183 91 1HG2 ILE 12 1HG2 ILE 12 2.236 -0.903 -1.825 92 2HG2 ILE 12 2HG2 ILE 12 2.053 0.742 -2.410 93 3HG2 ILE 12 3HG2 ILE 12 3.268 -0.304 -3.110 94 1HD1 ILE 12 1HD1 ILE 12 2.592 -0.830 1.033 95 2HD1 ILE 12 2HD1 ILE 12 1.597 0.519 1.570 96 3HD1 ILE 12 3HD1 ILE 12 1.309 -0.208 0.002 97 H ALA 13 H ALA 13 3.982 -2.575 -2.076 98 HA ALA 13 HA ALA 13 6.112 -2.442 -4.179 99 1HB ALA 13 1HB ALA 13 4.685 -4.909 -3.086 100 2HB ALA 13 2HB ALA 13 5.874 -4.912 -4.373 101 3HB ALA 13 3HB ALA 13 6.343 -4.429 -2.759 102 H TYR 14 H TYR 14 2.955 -3.846 -3.468 103 HA TYR 14 HA TYR 14 1.658 -2.408 -5.649 104 1HB TYR 14 1HB TYR 14 1.193 -4.345 -7.126 105 2HB TYR 14 2HB TYR 14 2.924 -4.184 -6.932 106 HD1 TYR 14 HD1 TYR 14 4.133 -5.734 -5.363 107 HD2 TYR 14 HD2 TYR 14 0.049 -6.297 -6.412 108 HE1 TYR 14 HE1 TYR 14 4.260 -8.041 -4.600 109 HE2 TYR 14 HE2 TYR 14 0.167 -8.605 -5.653 110 HH TYR 14 HH TYR 14 1.965 -10.359 -5.348 111 H GLY 15 H GLY 15 -0.486 -3.953 -6.148 112 1HA GLY 15 1HA GLY 15 -1.565 -5.038 -3.670 113 2HA GLY 15 2HA GLY 15 -2.287 -3.502 -4.135 114 H VAL 16 H VAL 16 -3.903 -5.505 -3.877 115 HA VAL 16 HA VAL 16 -4.682 -6.230 -6.687 116 HB VAL 16 HB VAL 16 -4.708 -7.996 -4.188 117 1HG1 VAL 16 1HG1 VAL 16 -6.091 -8.559 -6.844 118 2HG1 VAL 16 2HG1 VAL 16 -5.927 -9.699 -5.518 119 3HG1 VAL 16 3HG1 VAL 16 -6.907 -8.261 -5.318 120 1HG2 VAL 16 1HG2 VAL 16 -2.611 -8.004 -5.539 121 2HG2 VAL 16 2HG2 VAL 16 -3.425 -9.554 -5.632 122 3HG2 VAL 16 3HG2 VAL 16 -3.533 -8.426 -6.969 123 H CYS 17 H CYS 17 -6.647 -5.554 -7.171 124 HA CYS 17 HA CYS 17 -8.401 -4.536 -4.991 125 1HB CYS 17 1HB CYS 17 -8.250 -3.902 -7.920 126 2HB CYS 17 2HB CYS 17 -9.404 -3.170 -6.843 127 HA PRO 18 HA PRO 18 -11.777 -7.335 -5.867 128 1HB PRO 18 1HB PRO 18 -13.707 -5.134 -6.181 129 2HB PRO 18 2HB PRO 18 -13.628 -6.380 -4.947 130 1HG PRO 18 1HG PRO 18 -12.961 -3.680 -4.578 131 2HG PRO 18 2HG PRO 18 -12.527 -4.992 -3.494 132 1HD PRO 18 1HD PRO 18 -10.802 -3.485 -5.340 133 2HD PRO 18 2HD PRO 18 -10.336 -4.547 -4.002 134 H ARG 19 H ARG 19 -11.938 -8.306 -7.722 135 HA ARG 19 HA ARG 19 -11.920 -8.754 -10.000 136 1HB ARG 19 1HB ARG 19 -14.196 -6.884 -9.415 137 2HB ARG 19 2HB ARG 19 -13.848 -7.144 -11.115 138 1HG ARG 19 1HG ARG 19 -13.849 -9.636 -10.681 139 2HG ARG 19 2HG ARG 19 -14.394 -9.299 -9.046 140 1HD ARG 19 1HD ARG 19 -15.791 -8.385 -11.562 141 2HD ARG 19 2HD ARG 19 -16.252 -9.803 -10.606 142 HE ARG 19 HE ARG 19 -16.168 -7.592 -8.841 143 1HH1 ARG 19 1HH1 ARG 19 -17.943 -8.663 -11.617 144 2HH1 ARG 19 2HH1 ARG 19 -19.387 -7.825 -11.160 145 1HH2 ARG 19 1HH2 ARG 19 -17.985 -6.520 -8.242 146 2HH2 ARG 19 2HH2 ARG 19 -19.413 -6.592 -9.221 147 H SER 20 H SER 20 -9.925 -7.533 -9.507 148 HA SER 20 HA SER 20 -8.870 -6.322 -11.840 149 1HB SER 20 1HB SER 20 -9.503 -4.413 -9.513 150 2HB SER 20 2HB SER 20 -8.209 -4.050 -10.666 151 HG SER 20 HG SER 20 -9.790 -4.328 -12.323 152 H GLU 21 H GLU 21 -7.069 -7.516 -11.665 153 HA GLU 21 HA GLU 21 -5.989 -8.362 -9.166 154 1HB GLU 21 1HB GLU 21 -4.761 -8.472 -11.945 155 2HB GLU 21 2HB GLU 21 -4.165 -9.334 -10.537 156 1HG GLU 21 1HG GLU 21 -6.317 -10.560 -10.342 157 2HG GLU 21 2HG GLU 21 -6.930 -9.718 -11.757 158 H GLU 22 H GLU 22 -5.390 -5.695 -11.264 159 HA GLU 22 HA GLU 22 -3.900 -3.914 -11.224 160 1HB GLU 22 1HB GLU 22 -5.270 -3.437 -9.262 161 2HB GLU 22 2HB GLU 22 -4.331 -4.514 -8.260 162 1HG GLU 22 1HG GLU 22 -2.364 -2.992 -8.430 163 2HG GLU 22 2HG GLU 22 -3.268 -1.944 -9.510 164 H LYS 23 H LYS 23 -2.237 -5.131 -12.266 165 HA LYS 23 HA LYS 23 -0.314 -6.395 -12.441 166 1HB LYS 23 1HB LYS 23 -0.080 -3.567 -11.596 167 2HB LYS 23 2HB LYS 23 1.398 -4.482 -11.636 168 1HG LYS 23 1HG LYS 23 0.981 -5.181 -13.971 169 2HG LYS 23 2HG LYS 23 -0.528 -4.296 -13.972 170 1HD LYS 23 1HD LYS 23 2.180 -2.972 -13.516 171 2HD LYS 23 2HD LYS 23 1.446 -3.126 -15.096 172 1HE LYS 23 1HE LYS 23 0.914 -0.911 -14.290 173 2HE LYS 23 2HE LYS 23 -0.570 -1.841 -14.200 174 1HZ LYS 23 1HZ LYS 23 1.070 -1.911 -11.824 175 2HZ LYS 23 2HZ LYS 23 0.415 -0.394 -12.206 176 3HZ LYS 23 3HZ LYS 23 -0.611 -1.728 -11.991 177 H LYS 24 H LYS 24 -0.361 -8.142 -11.057 178 HA LYS 24 HA LYS 24 1.221 -7.835 -8.528 179 1HB LYS 24 1HB LYS 24 -0.180 -10.219 -8.130 180 2HB LYS 24 2HB LYS 24 -0.741 -8.665 -7.600 181 1HG LYS 24 1HG LYS 24 -2.574 -9.724 -8.732 182 2HG LYS 24 2HG LYS 24 -2.063 -8.339 -9.660 183 1HD LYS 24 1HD LYS 24 -2.290 -9.931 -11.367 184 2HD LYS 24 2HD LYS 24 -0.596 -10.119 -11.005 185 1HE LYS 24 1HE LYS 24 -2.787 -11.862 -9.812 186 2HE LYS 24 2HE LYS 24 -1.798 -12.307 -11.191 187 1HZ LYS 24 1HZ LYS 24 0.159 -12.030 -9.727 188 2HZ LYS 24 2HZ LYS 24 -0.906 -11.851 -8.412 189 3HZ LYS 24 3HZ LYS 24 -0.878 -13.299 -9.295 190 H ASN 25 H ASN 25 2.685 -7.980 -10.604 191 HA ASN 25 HA ASN 25 4.030 -10.526 -10.313 192 1HB ASN 25 1HB ASN 25 2.226 -10.021 -12.629 193 2HB ASN 25 2HB ASN 25 3.826 -10.505 -13.151 194 1HD2 ASN 25 2HD2 ASN 25 0.865 -11.626 -11.767 195 2HD2 ASN 25 1HD2 ASN 25 1.341 -13.239 -11.534 196 H ASP 26 H ASP 26 4.406 -7.499 -10.371 197 HA ASP 26 HA ASP 26 7.200 -7.567 -10.965 198 1HB ASP 26 1HB ASP 26 5.552 -7.244 -13.295 199 2HB ASP 26 2HB ASP 26 6.192 -5.651 -13.006 200 H ARG 27 H ARG 27 5.796 -6.732 -8.885 201 HA ARG 27 HA ARG 27 5.144 -4.938 -7.508 202 1HB ARG 27 1HB ARG 27 7.222 -5.731 -6.706 203 2HB ARG 27 2HB ARG 27 8.121 -4.998 -8.005 204 1HG ARG 27 1HG ARG 27 6.800 -2.915 -6.429 205 2HG ARG 27 2HG ARG 27 7.686 -3.986 -5.386 206 1HD ARG 27 1HD ARG 27 9.228 -2.234 -5.975 207 2HD ARG 27 2HD ARG 27 9.716 -3.632 -6.902 208 HE ARG 27 HE ARG 27 8.870 -2.627 -8.898 209 1HH1 ARG 27 1HH1 ARG 27 8.507 -0.599 -6.087 210 2HH1 ARG 27 2HH1 ARG 27 8.241 0.823 -7.033 211 1HH2 ARG 27 1HH2 ARG 27 8.528 -0.831 -10.079 212 2HH2 ARG 27 2HH2 ARG 27 8.252 0.696 -9.308 213 H ILE 28 H ILE 28 3.890 -3.350 -8.128 214 HA ILE 28 HA ILE 28 4.445 -1.407 -10.117 215 HB ILE 28 HB ILE 28 2.461 -0.953 -7.916 216 1HG1 ILE 28 1HG1 ILE 28 1.836 -2.750 -10.341 217 2HG1 ILE 28 2HG1 ILE 28 2.308 -3.524 -8.869 218 1HG2 ILE 28 1HG2 ILE 28 2.380 -0.557 -10.905 219 2HG2 ILE 28 2HG2 ILE 28 1.053 -0.176 -9.818 220 3HG2 ILE 28 3HG2 ILE 28 2.540 0.711 -9.702 221 1HD1 ILE 28 1HD1 ILE 28 0.398 -2.438 -7.681 222 2HD1 ILE 28 2HD1 ILE 28 -0.149 -1.775 -9.212 223 3HD1 ILE 28 3HD1 ILE 28 -0.082 -3.509 -8.978 224 H CYS 29 H CYS 29 4.067 1.021 -9.237 225 HA CYS 29 HA CYS 29 5.944 1.563 -6.977 226 1HB CYS 29 1HB CYS 29 6.677 1.817 -9.517 227 2HB CYS 29 2HB CYS 29 5.715 3.252 -9.480 228 H THR 30 H THR 30 3.848 1.547 -5.879 229 HA THR 30 HA THR 30 2.443 4.172 -6.093 230 HB THR 30 HB THR 30 1.081 2.411 -7.255 231 HG1 THR 30 HG1 THR 30 -0.768 2.783 -5.907 232 1HG2 THR 30 1HG2 THR 30 1.783 0.434 -5.769 233 2HG2 THR 30 2HG2 THR 30 0.878 1.161 -4.450 234 3HG2 THR 30 3HG2 THR 30 0.041 0.615 -5.892 235 H ASN 31 H ASN 31 0.903 4.424 -4.203 236 HA ASN 31 HA ASN 31 2.240 3.733 -1.610 237 1HB ASN 31 1HB ASN 31 0.443 6.139 -2.159 238 2HB ASN 31 2HB ASN 31 1.416 5.877 -0.731 239 1HD2 ASN 31 2HD2 ASN 31 1.338 7.996 -2.948 240 2HD2 ASN 31 1HD2 ASN 31 2.982 8.175 -3.323 241 H CYS 32 H CYS 32 0.624 3.783 0.239 242 HA CYS 32 HA CYS 32 -1.577 1.979 -0.353 243 1HB CYS 32 1HB CYS 32 -0.558 1.824 1.851 244 2HB CYS 32 2HB CYS 32 -0.792 3.531 2.148 245 H CYS 33 H CYS 33 -1.179 5.341 0.430 246 HA CYS 33 HA CYS 33 -3.927 6.155 0.485 247 1HB CYS 33 1HB CYS 33 -2.250 7.486 1.542 248 2HB CYS 33 2HB CYS 33 -1.298 7.569 0.088 249 H ALA 34 H ALA 34 -1.467 6.130 -2.004 250 HA ALA 34 HA ALA 34 -2.926 7.393 -4.109 251 1HB ALA 34 1HB ALA 34 -0.806 5.218 -4.257 252 2HB ALA 34 2HB ALA 34 -1.318 6.218 -5.601 253 3HB ALA 34 3HB ALA 34 -0.480 6.945 -4.233 254 H GLY 35 H GLY 35 -2.619 4.109 -3.030 255 1HA GLY 35 1HA GLY 35 -4.099 2.772 -4.961 256 2HA GLY 35 2HA GLY 35 -3.842 2.200 -3.325 257 H THR 36 H THR 36 -6.236 2.075 -5.029 258 HA THR 36 HA THR 36 -8.193 3.860 -3.805 259 HB THR 36 HB THR 36 -9.122 1.372 -5.163 260 HG1 THR 36 HG1 THR 36 -7.290 2.070 -6.385 261 1HG2 THR 36 1HG2 THR 36 -9.762 4.337 -5.628 262 2HG2 THR 36 2HG2 THR 36 -10.620 2.984 -6.344 263 3HG2 THR 36 3HG2 THR 36 -10.733 3.275 -4.623 264 H LYS 37 H LYS 37 -10.221 2.817 -2.975 265 HA LYS 37 HA LYS 37 -9.533 1.352 -0.554 266 1HB LYS 37 1HB LYS 37 -11.086 2.946 -0.032 267 2HB LYS 37 2HB LYS 37 -11.788 2.978 -1.619 268 1HG LYS 37 1HG LYS 37 -12.455 0.610 0.118 269 2HG LYS 37 2HG LYS 37 -13.105 2.154 0.564 270 1HD LYS 37 1HD LYS 37 -14.694 0.855 -0.806 271 2HD LYS 37 2HD LYS 37 -14.295 2.391 -1.523 272 1HE LYS 37 1HE LYS 37 -13.086 -0.242 -2.437 273 2HE LYS 37 2HE LYS 37 -14.492 0.507 -3.151 274 1HZ LYS 37 1HZ LYS 37 -13.132 2.512 -3.550 275 2HZ LYS 37 2HZ LYS 37 -11.761 1.634 -3.082 276 3HZ LYS 37 3HZ LYS 37 -12.655 1.143 -4.435 277 H GLY 38 H GLY 38 -10.733 -0.563 0.117 278 1HA GLY 38 1HA GLY 38 -11.660 -2.699 -0.229 279 2HA GLY 38 2HA GLY 38 -11.952 -2.277 -1.914 280 H CYS 39 H CYS 39 -9.107 -1.449 -2.307 281 HA CYS 39 HA CYS 39 -8.067 -4.011 -3.113 282 1HB CYS 39 1HB CYS 39 -6.689 -1.348 -2.888 283 2HB CYS 39 2HB CYS 39 -6.184 -2.659 -3.913 284 H LYS 40 H LYS 40 -5.797 -4.608 -2.566 285 HA LYS 40 HA LYS 40 -5.063 -4.243 0.302 286 1HB LYS 40 1HB LYS 40 -4.448 -6.735 0.258 287 2HB LYS 40 2HB LYS 40 -6.153 -6.350 0.325 288 1HG LYS 40 1HG LYS 40 -6.390 -6.766 -2.074 289 2HG LYS 40 2HG LYS 40 -4.671 -7.045 -2.258 290 1HD LYS 40 1HD LYS 40 -5.776 -9.198 -2.173 291 2HD LYS 40 2HD LYS 40 -4.935 -9.011 -0.649 292 1HE LYS 40 1HE LYS 40 -7.042 -8.314 0.461 293 2HE LYS 40 2HE LYS 40 -7.898 -8.434 -1.072 294 1HZ LYS 40 1HZ LYS 40 -6.513 -10.654 0.313 295 2HZ LYS 40 2HZ LYS 40 -8.191 -10.392 0.285 296 3HZ LYS 40 3HZ LYS 40 -7.366 -10.771 -1.151 297 H TYR 41 H TYR 41 -3.270 -3.076 0.151 298 HA TYR 41 HA TYR 41 -1.328 -3.660 -1.946 299 1HB TYR 41 1HB TYR 41 -1.689 -1.362 0.002 300 2HB TYR 41 2HB TYR 41 -0.356 -1.482 -1.124 301 HD1 TYR 41 HD1 TYR 41 -0.815 -1.474 -3.602 302 HD2 TYR 41 HD2 TYR 41 -3.914 -0.803 -0.759 303 HE1 TYR 41 HE1 TYR 41 -2.251 -0.596 -5.378 304 HE2 TYR 41 HE2 TYR 41 -5.339 0.084 -2.537 305 HH TYR 41 HH TYR 41 -5.467 0.715 -4.657 306 H PHE 42 H PHE 42 0.346 -4.821 -1.581 307 HA PHE 42 HA PHE 42 1.434 -5.216 1.136 308 1HB PHE 42 1HB PHE 42 2.329 -7.222 -0.767 309 2HB PHE 42 2HB PHE 42 1.419 -7.397 0.709 310 HD1 PHE 42 HD1 PHE 42 0.992 -6.634 -2.918 311 HD2 PHE 42 HD2 PHE 42 -0.840 -7.969 0.687 312 HE1 PHE 42 HE1 PHE 42 -1.020 -7.292 -4.169 313 HE2 PHE 42 HE2 PHE 42 -2.840 -8.628 -0.567 314 HZ PHE 42 HZ PHE 42 -2.928 -8.290 -3.003 315 H SER 43 H SER 43 3.593 -5.564 1.370 316 HA SER 43 HA SER 43 5.275 -3.720 0.064 317 1HB SER 43 1HB SER 43 5.859 -5.949 2.064 318 2HB SER 43 2HB SER 43 6.943 -4.651 1.656 319 HG SER 43 HG SER 43 5.331 -3.169 2.289 320 H ASP 44 H ASP 44 7.579 -4.469 -0.191 321 HA ASP 44 HA ASP 44 7.756 -6.002 -2.638 322 1HB ASP 44 1HB ASP 44 9.331 -4.080 -1.021 323 2HB ASP 44 2HB ASP 44 10.318 -5.314 -1.733 324 H ASP 45 H ASP 45 8.556 -6.330 0.706 325 HA ASP 45 HA ASP 45 10.075 -8.779 0.521 326 1HB ASP 45 1HB ASP 45 10.316 -7.242 2.437 327 2HB ASP 45 2HB ASP 45 8.618 -7.422 2.839 328 H GLY 46 H GLY 46 6.831 -8.120 0.027 329 1HA GLY 46 1HA GLY 46 5.062 -9.479 -0.412 330 2HA GLY 46 2HA GLY 46 6.092 -10.892 -0.065 331 H THR 47 H THR 47 4.701 -8.067 1.528 332 HA THR 47 HA THR 47 3.541 -9.615 3.625 333 HB THR 47 HB THR 47 5.710 -7.511 4.116 334 HG1 THR 47 HG1 THR 47 6.588 -9.461 3.692 335 1HG2 THR 47 1HG2 THR 47 4.142 -9.209 6.165 336 2HG2 THR 47 2HG2 THR 47 5.410 -8.058 6.557 337 3HG2 THR 47 3HG2 THR 47 3.872 -7.488 5.936 338 H PHE 48 H PHE 48 1.605 -8.896 3.639 339 HA PHE 48 HA PHE 48 0.455 -6.700 2.448 340 1HB PHE 48 1HB PHE 48 -0.860 -8.544 3.277 341 2HB PHE 48 2HB PHE 48 -0.391 -8.218 4.933 342 HD1 PHE 48 HD1 PHE 48 -2.544 -7.109 2.141 343 HD2 PHE 48 HD2 PHE 48 -1.364 -6.346 6.168 344 HE1 PHE 48 HE1 PHE 48 -4.476 -5.625 2.436 345 HE2 PHE 48 HE2 PHE 48 -3.293 -4.866 6.454 346 HZ PHE 48 HZ PHE 48 -4.850 -4.504 4.597 347 H VAL 49 H VAL 49 0.372 -4.637 2.737 348 HA VAL 49 HA VAL 49 1.396 -3.416 5.263 349 HB VAL 49 HB VAL 49 0.983 -2.141 2.521 350 1HG1 VAL 49 1HG1 VAL 49 2.326 -1.064 5.044 351 2HG1 VAL 49 2HG1 VAL 49 2.289 -0.257 3.487 352 3HG1 VAL 49 3HG1 VAL 49 0.805 -0.488 4.386 353 1HG2 VAL 49 1HG2 VAL 49 3.495 -3.025 3.967 354 2HG2 VAL 49 2HG2 VAL 49 2.794 -3.811 2.559 355 3HG2 VAL 49 3HG2 VAL 49 3.454 -2.191 2.422 356 H CYS 50 H CYS 50 -1.192 -2.728 2.841 357 HA CYS 50 HA CYS 50 -3.043 -2.179 5.088 358 1HB CYS 50 1HB CYS 50 -3.384 0.067 4.667 359 2HB CYS 50 2HB CYS 50 -1.692 -0.024 4.252 360 H GLU 51 H GLU 51 -5.243 -1.530 4.134 361 HA GLU 51 HA GLU 51 -5.653 -2.997 1.562 362 1HB GLU 51 1HB GLU 51 -6.552 -4.489 3.208 363 2HB GLU 51 2HB GLU 51 -7.143 -3.193 4.216 364 1HG GLU 51 1HG GLU 51 -8.371 -3.957 1.523 365 2HG GLU 51 2HG GLU 51 -8.901 -4.610 3.041 366 H GLY 52 H GLY 52 -5.661 -1.294 0.382 367 1HA GLY 52 1HA GLY 52 -6.130 0.726 -0.583 368 2HA GLY 52 2HA GLY 52 -7.771 0.184 -0.321 369 H GLU 53 H GLU 53 -7.340 2.720 -0.732 370 HA GLU 53 HA GLU 53 -8.304 3.995 1.719 371 1HB GLU 53 1HB GLU 53 -5.714 4.928 0.409 372 2HB GLU 53 2HB GLU 53 -6.628 5.904 1.543 373 1HG GLU 53 1HG GLU 53 -6.401 3.914 3.193 374 2HG GLU 53 2HG GLU 53 -5.154 3.328 2.102 375 H SER 54 H SER 54 -8.699 3.627 -1.480 376 HA SER 54 HA SER 54 -9.942 4.756 -3.081 377 1HB SER 54 1HB SER 54 -11.498 5.147 -1.068 378 2HB SER 54 2HB SER 54 -10.723 6.715 -0.837 379 HG SER 54 HG SER 54 -11.171 6.668 -3.350 Start of MODEL 12 1 1H MET 1 1H MET 1 -7.427 13.281 -0.914 2 2H MET 1 2H MET 1 -7.953 13.236 0.700 3 3H MET 1 3H MET 1 -8.583 12.135 -0.431 4 HA MET 1 HA MET 1 -10.204 13.798 -0.044 5 1HB MET 1 1HB MET 1 -7.897 15.498 0.178 6 2HB MET 1 2HB MET 1 -8.782 16.107 -1.203 7 1HG MET 1 1HG MET 1 -10.839 16.205 0.159 8 2HG MET 1 2HG MET 1 -9.964 15.602 1.539 9 1HE MET 1 1HE MET 1 -7.611 16.928 2.242 10 2HE MET 1 2HE MET 1 -8.056 18.470 2.943 11 3HE MET 1 3HE MET 1 -9.012 17.049 3.335 12 H LYS 2 H LYS 2 -11.420 13.169 -1.647 13 HA LYS 2 HA LYS 2 -12.213 12.612 -3.761 14 1HB LYS 2 1HB LYS 2 -12.313 15.130 -3.741 15 2HB LYS 2 2HB LYS 2 -10.736 15.197 -4.503 16 1HG LYS 2 1HG LYS 2 -11.659 13.880 -6.454 17 2HG LYS 2 2HG LYS 2 -13.233 13.896 -5.693 18 1HD LYS 2 1HD LYS 2 -11.665 16.373 -6.542 19 2HD LYS 2 2HD LYS 2 -12.988 15.667 -7.445 20 1HE LYS 2 1HE LYS 2 -13.206 16.874 -4.644 21 2HE LYS 2 2HE LYS 2 -13.809 17.576 -6.133 22 1HZ LYS 2 1HZ LYS 2 -15.150 15.486 -6.386 23 2HZ LYS 2 2HZ LYS 2 -14.751 15.138 -4.772 24 3HZ LYS 2 3HZ LYS 2 -15.623 16.547 -5.147 25 H ALA 3 H ALA 3 -10.806 10.800 -3.730 26 HA ALA 3 HA ALA 3 -9.439 9.250 -4.756 27 1HB ALA 3 1HB ALA 3 -10.404 10.084 -6.879 28 2HB ALA 3 2HB ALA 3 -9.193 11.350 -6.972 29 3HB ALA 3 3HB ALA 3 -8.713 9.672 -7.095 30 H CYS 4 H CYS 4 -7.467 8.697 -4.177 31 HA CYS 4 HA CYS 4 -5.535 10.598 -3.212 32 1HB CYS 4 1HB CYS 4 -5.309 7.667 -3.803 33 2HB CYS 4 2HB CYS 4 -4.173 8.579 -2.868 34 H THR 5 H THR 5 -3.122 10.047 -3.886 35 HA THR 5 HA THR 5 -2.821 10.925 -6.633 36 HB THR 5 HB THR 5 -0.516 10.159 -4.729 37 HG1 THR 5 HG1 THR 5 -2.048 11.323 -3.531 38 1HG2 THR 5 1HG2 THR 5 -0.142 11.258 -7.063 39 2HG2 THR 5 2HG2 THR 5 -1.108 12.602 -6.480 40 3HG2 THR 5 3HG2 THR 5 0.423 12.221 -5.702 41 H LEU 6 H LEU 6 -0.317 9.484 -7.092 42 HA LEU 6 HA LEU 6 -1.160 6.645 -7.337 43 1HB LEU 6 1HB LEU 6 -0.196 8.383 -9.646 44 2HB LEU 6 2HB LEU 6 -0.426 6.653 -9.750 45 HG LEU 6 HG LEU 6 -2.675 8.624 -9.091 46 1HD1 LEU 6 1HD1 LEU 6 -2.005 7.211 -11.710 47 2HD1 LEU 6 2HD1 LEU 6 -3.422 8.208 -11.419 48 3HD1 LEU 6 3HD1 LEU 6 -1.824 8.931 -11.406 49 1HD2 LEU 6 1HD2 LEU 6 -2.738 5.663 -9.871 50 2HD2 LEU 6 2HD2 LEU 6 -3.054 6.267 -8.256 51 3HD2 LEU 6 3HD2 LEU 6 -4.142 6.671 -9.565 52 H ASN 7 H ASN 7 1.275 8.830 -6.599 53 HA ASN 7 HA ASN 7 3.598 7.711 -7.488 54 1HB ASN 7 1HB ASN 7 3.051 9.030 -4.812 55 2HB ASN 7 2HB ASN 7 4.658 8.752 -5.459 56 1HD2 ASN 7 1HD2 ASN 7 1.557 10.336 -6.360 57 2HD2 ASN 7 2HD2 ASN 7 2.283 11.589 -7.248 58 H CYS 8 H CYS 8 5.176 6.523 -6.448 59 HA CYS 8 HA CYS 8 4.192 4.043 -5.243 60 1HB CYS 8 1HB CYS 8 7.100 4.331 -5.478 61 2HB CYS 8 2HB CYS 8 6.041 3.069 -6.029 62 H ASP 9 H ASP 9 4.366 3.354 -3.269 63 HA ASP 9 HA ASP 9 5.557 5.102 -1.185 64 1HB ASP 9 1HB ASP 9 3.222 4.440 -0.921 65 2HB ASP 9 2HB ASP 9 3.622 2.749 -1.046 66 HA PRO 10 HA PRO 10 9.156 2.622 -1.739 67 1HB PRO 10 1HB PRO 10 10.151 3.021 0.955 68 2HB PRO 10 2HB PRO 10 10.687 3.775 -0.537 69 1HG PRO 10 1HG PRO 10 9.005 4.893 1.560 70 2HG PRO 10 2HG PRO 10 9.729 5.712 0.185 71 1HD PRO 10 1HD PRO 10 6.984 5.149 0.512 72 2HD PRO 10 2HD PRO 10 7.758 5.639 -1.003 73 H ARG 11 H ARG 11 7.559 2.098 1.296 74 HA ARG 11 HA ARG 11 8.604 -0.588 1.686 75 1HB ARG 11 1HB ARG 11 6.858 -0.741 3.510 76 2HB ARG 11 2HB ARG 11 7.978 0.601 3.667 77 1HG ARG 11 1HG ARG 11 6.449 2.164 2.922 78 2HG ARG 11 2HG ARG 11 5.409 0.991 2.146 79 1HD ARG 11 1HD ARG 11 4.858 0.152 4.515 80 2HD ARG 11 2HD ARG 11 5.665 1.625 5.090 81 HE ARG 11 HE ARG 11 3.967 2.304 2.947 82 1HH1 ARG 11 1HH1 ARG 11 3.786 1.184 6.219 83 2HH1 ARG 11 2HH1 ARG 11 2.245 1.912 6.521 84 1HH2 ARG 11 1HH2 ARG 11 1.988 3.247 3.305 85 2HH2 ARG 11 2HH2 ARG 11 1.209 3.100 4.844 86 H ILE 12 H ILE 12 5.822 0.712 0.075 87 HA ILE 12 HA ILE 12 4.418 -1.871 -0.091 88 HB ILE 12 HB ILE 12 3.770 0.778 -1.363 89 1HG1 ILE 12 1HG1 ILE 12 2.797 -0.700 1.124 90 2HG1 ILE 12 2HG1 ILE 12 3.687 0.809 1.109 91 1HG2 ILE 12 1HG2 ILE 12 2.785 -1.150 -2.635 92 2HG2 ILE 12 2HG2 ILE 12 2.106 -1.786 -1.146 93 3HG2 ILE 12 3HG2 ILE 12 1.541 -0.258 -1.806 94 1HD1 ILE 12 1HD1 ILE 12 1.806 1.893 -0.041 95 2HD1 ILE 12 2HD1 ILE 12 0.892 0.388 0.061 96 3HD1 ILE 12 3HD1 ILE 12 1.371 1.223 1.531 97 H ALA 13 H ALA 13 4.252 -3.098 -1.839 98 HA ALA 13 HA ALA 13 6.121 -2.661 -4.119 99 1HB ALA 13 1HB ALA 13 4.595 -5.149 -3.232 100 2HB ALA 13 2HB ALA 13 5.732 -5.086 -4.564 101 3HB ALA 13 3HB ALA 13 6.290 -4.788 -2.938 102 H TYR 14 H TYR 14 2.881 -3.906 -3.445 103 HA TYR 14 HA TYR 14 1.667 -2.189 -5.457 104 1HB TYR 14 1HB TYR 14 0.983 -3.941 -7.056 105 2HB TYR 14 2HB TYR 14 2.723 -3.891 -6.906 106 HD1 TYR 14 HD1 TYR 14 3.889 -5.635 -5.460 107 HD2 TYR 14 HD2 TYR 14 -0.227 -5.925 -6.481 108 HE1 TYR 14 HE1 TYR 14 3.916 -7.999 -4.858 109 HE2 TYR 14 HE2 TYR 14 -0.203 -8.290 -5.879 110 HH TYR 14 HH TYR 14 1.786 -10.156 -5.804 111 H GLY 15 H GLY 15 -0.568 -2.983 -6.000 112 1HA GLY 15 1HA GLY 15 -1.875 -4.166 -3.605 113 2HA GLY 15 2HA GLY 15 -2.496 -2.672 -4.289 114 H VAL 16 H VAL 16 -3.875 -5.082 -3.940 115 HA VAL 16 HA VAL 16 -4.606 -5.674 -6.798 116 HB VAL 16 HB VAL 16 -4.201 -7.646 -4.521 117 1HG1 VAL 16 1HG1 VAL 16 -5.593 -8.179 -7.179 118 2HG1 VAL 16 2HG1 VAL 16 -5.139 -9.412 -6.011 119 3HG1 VAL 16 3HG1 VAL 16 -6.370 -8.234 -5.607 120 1HG2 VAL 16 1HG2 VAL 16 -3.172 -7.472 -7.381 121 2HG2 VAL 16 2HG2 VAL 16 -2.236 -7.079 -5.955 122 3HG2 VAL 16 3HG2 VAL 16 -2.731 -8.733 -6.258 123 H CYS 17 H CYS 17 -6.489 -4.938 -7.142 124 HA CYS 17 HA CYS 17 -8.481 -4.618 -5.003 125 1HB CYS 17 1HB CYS 17 -8.456 -3.729 -7.879 126 2HB CYS 17 2HB CYS 17 -9.628 -3.225 -6.690 127 HA PRO 18 HA PRO 18 -10.963 -8.067 -5.820 128 1HB PRO 18 1HB PRO 18 -13.503 -6.643 -6.042 129 2HB PRO 18 2HB PRO 18 -12.907 -7.655 -4.736 130 1HG PRO 18 1HG PRO 18 -13.130 -4.821 -4.734 131 2HG PRO 18 2HG PRO 18 -12.380 -5.819 -3.497 132 1HD PRO 18 1HD PRO 18 -11.082 -4.071 -5.427 133 2HD PRO 18 2HD PRO 18 -10.348 -4.965 -4.086 134 H ARG 19 H ARG 19 -11.334 -9.240 -7.504 135 HA ARG 19 HA ARG 19 -11.507 -9.928 -9.690 136 1HB ARG 19 1HB ARG 19 -13.813 -8.041 -9.178 137 2HB ARG 19 2HB ARG 19 -13.566 -8.473 -10.850 138 1HG ARG 19 1HG ARG 19 -15.126 -10.042 -9.876 139 2HG ARG 19 2HG ARG 19 -13.637 -10.892 -10.237 140 1HD ARG 19 1HD ARG 19 -12.937 -10.752 -7.865 141 2HD ARG 19 2HD ARG 19 -14.363 -9.804 -7.466 142 HE ARG 19 HE ARG 19 -14.246 -12.688 -7.913 143 1HH1 ARG 19 1HH1 ARG 19 -16.253 -9.860 -7.947 144 2HH1 ARG 19 2HH1 ARG 19 -17.714 -10.758 -7.715 145 1HH2 ARG 19 1HH2 ARG 19 -16.083 -13.840 -7.621 146 2HH2 ARG 19 2HH2 ARG 19 -17.619 -13.044 -7.528 147 H SER 20 H SER 20 -9.610 -7.865 -9.202 148 HA SER 20 HA SER 20 -9.544 -6.409 -11.822 149 1HB SER 20 1HB SER 20 -7.830 -5.958 -9.309 150 2HB SER 20 2HB SER 20 -7.893 -4.914 -10.737 151 HG SER 20 HG SER 20 -9.956 -5.521 -8.910 152 H GLU 21 H GLU 21 -9.242 -8.881 -12.175 153 HA GLU 21 HA GLU 21 -7.959 -10.587 -13.068 154 1HB GLU 21 1HB GLU 21 -5.970 -8.320 -13.567 155 2HB GLU 21 2HB GLU 21 -5.934 -9.882 -14.345 156 1HG GLU 21 1HG GLU 21 -6.982 -8.329 -15.884 157 2HG GLU 21 2HG GLU 21 -8.216 -9.436 -15.315 158 H GLU 22 H GLU 22 -7.177 -9.354 -10.215 159 HA GLU 22 HA GLU 22 -5.751 -9.868 -8.482 160 1HB GLU 22 1HB GLU 22 -6.758 -12.233 -9.541 161 2HB GLU 22 2HB GLU 22 -5.043 -12.578 -9.571 162 1HG GLU 22 1HG GLU 22 -4.959 -11.814 -7.128 163 2HG GLU 22 2HG GLU 22 -6.708 -11.728 -7.165 164 H LYS 23 H LYS 23 -4.150 -8.361 -9.001 165 HA LYS 23 HA LYS 23 -1.937 -9.065 -10.731 166 1HB LYS 23 1HB LYS 23 -2.844 -6.631 -9.224 167 2HB LYS 23 2HB LYS 23 -1.124 -6.723 -9.511 168 1HG LYS 23 1HG LYS 23 -2.052 -5.542 -11.359 169 2HG LYS 23 2HG LYS 23 -1.624 -7.131 -11.962 170 1HD LYS 23 1HD LYS 23 -4.001 -7.870 -11.701 171 2HD LYS 23 2HD LYS 23 -4.416 -6.293 -11.054 172 1HE LYS 23 1HE LYS 23 -5.018 -6.358 -13.431 173 2HE LYS 23 2HE LYS 23 -3.661 -5.263 -13.234 174 1HZ LYS 23 1HZ LYS 23 -3.327 -8.112 -13.940 175 2HZ LYS 23 2HZ LYS 23 -3.490 -6.881 -15.099 176 3HZ LYS 23 3HZ LYS 23 -2.172 -6.870 -14.027 177 H LYS 24 H LYS 24 -2.188 -10.896 -8.574 178 HA LYS 24 HA LYS 24 -0.043 -10.293 -6.644 179 1HB LYS 24 1HB LYS 24 -1.502 -12.952 -7.023 180 2HB LYS 24 2HB LYS 24 -0.656 -12.409 -5.594 181 1HG LYS 24 1HG LYS 24 -3.095 -10.932 -6.647 182 2HG LYS 24 2HG LYS 24 -3.270 -12.347 -5.639 183 1HD LYS 24 1HD LYS 24 -1.620 -9.911 -4.828 184 2HD LYS 24 2HD LYS 24 -3.308 -10.128 -4.400 185 1HE LYS 24 1HE LYS 24 -1.043 -12.026 -3.601 186 2HE LYS 24 2HE LYS 24 -1.827 -10.865 -2.553 187 1HZ LYS 24 1HZ LYS 24 -3.960 -12.036 -3.152 188 2HZ LYS 24 2HZ LYS 24 -2.984 -13.279 -3.773 189 3HZ LYS 24 3HZ LYS 24 -2.882 -12.859 -2.131 190 H ASN 25 H ASN 25 0.998 -10.047 -8.931 191 HA ASN 25 HA ASN 25 3.235 -11.747 -9.083 192 1HB ASN 25 1HB ASN 25 0.855 -12.550 -10.702 193 2HB ASN 25 2HB ASN 25 2.287 -12.360 -11.679 194 1HD2 ASN 25 2HD2 ASN 25 4.349 -13.429 -10.459 195 2HD2 ASN 25 1HD2 ASN 25 4.060 -14.996 -9.876 196 H ASP 26 H ASP 26 2.436 -8.992 -8.984 197 HA ASP 26 HA ASP 26 4.146 -7.924 -11.071 198 1HB ASP 26 1HB ASP 26 1.322 -8.049 -11.589 199 2HB ASP 26 2HB ASP 26 1.643 -6.373 -11.202 200 H ARG 27 H ARG 27 5.374 -6.677 -9.928 201 HA ARG 27 HA ARG 27 4.328 -5.225 -7.559 202 1HB ARG 27 1HB ARG 27 6.315 -6.499 -7.105 203 2HB ARG 27 2HB ARG 27 7.103 -5.944 -8.561 204 1HG ARG 27 1HG ARG 27 6.398 -3.654 -6.844 205 2HG ARG 27 2HG ARG 27 7.302 -4.846 -5.949 206 1HD ARG 27 1HD ARG 27 8.254 -3.744 -8.624 207 2HD ARG 27 2HD ARG 27 8.748 -3.130 -7.050 208 HE ARG 27 HE ARG 27 9.078 -6.030 -7.670 209 1HH1 ARG 27 1HH1 ARG 27 10.509 -2.939 -6.940 210 2HH1 ARG 27 2HH1 ARG 27 12.063 -3.630 -6.635 211 1HH2 ARG 27 1HH2 ARG 27 11.031 -6.889 -7.288 212 2HH2 ARG 27 2HH2 ARG 27 12.367 -5.884 -6.836 213 H ILE 28 H ILE 28 3.209 -3.702 -8.506 214 HA ILE 28 HA ILE 28 3.960 -1.950 -10.603 215 HB ILE 28 HB ILE 28 1.853 -1.370 -8.525 216 1HG1 ILE 28 1HG1 ILE 28 1.399 -3.294 -10.902 217 2HG1 ILE 28 2HG1 ILE 28 1.671 -3.936 -9.309 218 1HG2 ILE 28 1HG2 ILE 28 1.930 -1.089 -11.550 219 2HG2 ILE 28 2HG2 ILE 28 0.587 -0.590 -10.537 220 3HG2 ILE 28 3HG2 ILE 28 2.109 0.240 -10.423 221 1HD1 ILE 28 1HD1 ILE 28 -0.312 -2.751 -8.443 222 2HD1 ILE 28 2HD1 ILE 28 -0.671 -2.175 -10.063 223 3HD1 ILE 28 3HD1 ILE 28 -0.690 -3.893 -9.718 224 H CYS 29 H CYS 29 3.468 0.640 -9.616 225 HA CYS 29 HA CYS 29 5.353 1.077 -7.360 226 1HB CYS 29 1HB CYS 29 6.365 1.228 -9.742 227 2HB CYS 29 2HB CYS 29 5.382 2.638 -9.957 228 H THR 30 H THR 30 3.145 1.263 -6.431 229 HA THR 30 HA THR 30 2.174 4.071 -6.641 230 HB THR 30 HB THR 30 0.690 2.554 -8.041 231 HG1 THR 30 HG1 THR 30 -1.207 3.201 -6.828 232 1HG2 THR 30 1HG2 THR 30 0.902 0.487 -6.530 233 2HG2 THR 30 2HG2 THR 30 0.000 1.379 -5.314 234 3HG2 THR 30 3HG2 THR 30 -0.765 0.950 -6.838 235 H ASN 31 H ASN 31 0.294 4.194 -4.693 236 HA ASN 31 HA ASN 31 1.639 3.101 -2.255 237 1HB ASN 31 1HB ASN 31 1.142 5.326 -1.155 238 2HB ASN 31 2HB ASN 31 2.220 5.453 -2.522 239 1HD2 ASN 31 2HD2 ASN 31 1.761 7.325 -3.582 240 2HD2 ASN 31 1HD2 ASN 31 0.193 7.928 -3.821 241 H CYS 32 H CYS 32 0.385 3.145 -0.328 242 HA CYS 32 HA CYS 32 -1.845 1.542 -0.368 243 1HB CYS 32 1HB CYS 32 -0.671 1.791 1.672 244 2HB CYS 32 2HB CYS 32 -0.870 3.525 1.685 245 H CYS 33 H CYS 33 -1.925 5.032 -0.347 246 HA CYS 33 HA CYS 33 -4.800 5.224 -0.032 247 1HB CYS 33 1HB CYS 33 -3.060 6.884 0.676 248 2HB CYS 33 2HB CYS 33 -2.789 7.263 -0.992 249 H ALA 34 H ALA 34 -2.602 5.278 -2.746 250 HA ALA 34 HA ALA 34 -4.204 6.241 -4.825 251 1HB ALA 34 1HB ALA 34 -2.023 4.149 -4.928 252 2HB ALA 34 2HB ALA 34 -2.645 5.022 -6.315 253 3HB ALA 34 3HB ALA 34 -1.798 5.886 -5.045 254 H GLY 35 H GLY 35 -3.751 2.863 -3.882 255 1HA GLY 35 1HA GLY 35 -5.354 1.709 -5.836 256 2HA GLY 35 2HA GLY 35 -5.126 0.970 -4.271 257 H THR 36 H THR 36 -7.569 0.842 -5.701 258 HA THR 36 HA THR 36 -9.449 2.802 -4.676 259 HB THR 36 HB THR 36 -10.389 0.105 -5.580 260 HG1 THR 36 HG1 THR 36 -9.026 2.110 -7.068 261 1HG2 THR 36 1HG2 THR 36 -11.135 2.968 -6.413 262 2HG2 THR 36 2HG2 THR 36 -11.998 1.512 -6.876 263 3HG2 THR 36 3HG2 THR 36 -12.029 2.054 -5.214 264 H LYS 37 H LYS 37 -11.469 1.806 -3.566 265 HA LYS 37 HA LYS 37 -10.639 0.914 -0.929 266 1HB LYS 37 1HB LYS 37 -12.504 2.294 -0.756 267 2HB LYS 37 2HB LYS 37 -13.173 1.773 -2.284 268 1HG LYS 37 1HG LYS 37 -13.970 -0.338 -1.248 269 2HG LYS 37 2HG LYS 37 -13.264 0.143 0.289 270 1HD LYS 37 1HD LYS 37 -14.747 2.157 0.319 271 2HD LYS 37 2HD LYS 37 -15.445 1.664 -1.213 272 1HE LYS 37 1HE LYS 37 -15.556 0.031 1.362 273 2HE LYS 37 2HE LYS 37 -16.884 0.970 0.695 274 1HZ LYS 37 1HZ LYS 37 -16.567 -0.421 -1.373 275 2HZ LYS 37 2HZ LYS 37 -15.620 -1.451 -0.411 276 3HZ LYS 37 3HZ LYS 37 -17.251 -1.187 -0.020 277 H GLY 38 H GLY 38 -10.869 -1.062 -0.013 278 1HA GLY 38 1HA GLY 38 -11.449 -3.343 0.182 279 2HA GLY 38 2HA GLY 38 -12.160 -3.295 -1.421 280 H CYS 39 H CYS 39 -9.257 -1.959 -1.990 281 HA CYS 39 HA CYS 39 -8.158 -4.381 -3.121 282 1HB CYS 39 1HB CYS 39 -6.747 -1.732 -2.706 283 2HB CYS 39 2HB CYS 39 -6.409 -2.931 -3.908 284 H LYS 40 H LYS 40 -5.797 -4.842 -2.750 285 HA LYS 40 HA LYS 40 -5.172 -4.898 0.182 286 1HB LYS 40 1HB LYS 40 -4.745 -7.165 -1.789 287 2HB LYS 40 2HB LYS 40 -4.389 -7.218 -0.072 288 1HG LYS 40 1HG LYS 40 -6.812 -6.885 0.432 289 2HG LYS 40 2HG LYS 40 -7.170 -6.854 -1.282 290 1HD LYS 40 1HD LYS 40 -5.989 -9.212 0.248 291 2HD LYS 40 2HD LYS 40 -7.631 -9.091 -0.345 292 1HE LYS 40 1HE LYS 40 -5.108 -9.254 -2.063 293 2HE LYS 40 2HE LYS 40 -6.360 -10.468 -1.904 294 1HZ LYS 40 1HZ LYS 40 -7.902 -8.602 -2.717 295 2HZ LYS 40 2HZ LYS 40 -6.469 -7.887 -3.284 296 3HZ LYS 40 3HZ LYS 40 -6.924 -9.427 -3.836 297 H TYR 41 H TYR 41 -3.492 -3.546 0.324 298 HA TYR 41 HA TYR 41 -1.359 -3.555 -1.675 299 1HB TYR 41 1HB TYR 41 -2.257 -1.693 0.495 300 2HB TYR 41 2HB TYR 41 -0.559 -1.666 0.100 301 HD1 TYR 41 HD1 TYR 41 -0.114 -1.753 -2.540 302 HD2 TYR 41 HD2 TYR 41 -3.611 -0.201 -0.694 303 HE1 TYR 41 HE1 TYR 41 -0.529 -0.400 -4.507 304 HE2 TYR 41 HE2 TYR 41 -4.030 1.180 -2.649 305 HH TYR 41 HH TYR 41 -2.405 2.182 -4.602 306 H PHE 42 H PHE 42 0.341 -4.787 -1.453 307 HA PHE 42 HA PHE 42 1.460 -5.370 1.218 308 1HB PHE 42 1HB PHE 42 2.229 -7.463 -0.570 309 2HB PHE 42 2HB PHE 42 1.170 -7.504 0.816 310 HD1 PHE 42 HD1 PHE 42 0.870 -6.398 -2.777 311 HD2 PHE 42 HD2 PHE 42 -0.845 -8.462 0.532 312 HE1 PHE 42 HE1 PHE 42 -1.075 -7.021 -4.147 313 HE2 PHE 42 HE2 PHE 42 -2.776 -9.085 -0.847 314 HZ PHE 42 HZ PHE 42 -2.881 -8.374 -3.186 315 H SER 43 H SER 43 3.613 -5.661 1.387 316 HA SER 43 HA SER 43 5.309 -3.923 -0.047 317 1HB SER 43 1HB SER 43 5.905 -6.107 1.985 318 2HB SER 43 2HB SER 43 6.970 -4.808 1.496 319 HG SER 43 HG SER 43 5.072 -4.692 3.292 320 H ASP 44 H ASP 44 7.556 -4.822 -0.408 321 HA ASP 44 HA ASP 44 7.432 -6.566 -2.773 322 1HB ASP 44 1HB ASP 44 8.953 -4.326 -2.065 323 2HB ASP 44 2HB ASP 44 10.109 -5.624 -1.873 324 H ASP 45 H ASP 45 8.768 -6.593 0.434 325 HA ASP 45 HA ASP 45 10.216 -9.093 0.135 326 1HB ASP 45 1HB ASP 45 10.604 -8.869 2.565 327 2HB ASP 45 2HB ASP 45 10.871 -7.328 1.771 328 H GLY 46 H GLY 46 6.943 -8.545 0.210 329 1HA GLY 46 1HA GLY 46 5.242 -10.042 0.276 330 2HA GLY 46 2HA GLY 46 6.359 -11.293 0.842 331 H THR 47 H THR 47 4.929 -8.243 1.881 332 HA THR 47 HA THR 47 3.969 -9.351 4.332 333 HB THR 47 HB THR 47 6.119 -7.180 4.215 334 HG1 THR 47 HG1 THR 47 6.821 -9.300 4.280 335 1HG2 THR 47 1HG2 THR 47 4.594 -8.207 6.697 336 2HG2 THR 47 2HG2 THR 47 5.891 -7.023 6.716 337 3HG2 THR 47 3HG2 THR 47 4.337 -6.610 6.014 338 H PHE 48 H PHE 48 1.985 -8.742 4.276 339 HA PHE 48 HA PHE 48 0.802 -6.736 2.737 340 1HB PHE 48 1HB PHE 48 -0.447 -8.596 3.710 341 2HB PHE 48 2HB PHE 48 -0.162 -7.988 5.332 342 HD1 PHE 48 HD1 PHE 48 -1.921 -7.297 2.128 343 HD2 PHE 48 HD2 PHE 48 -1.438 -6.148 6.207 344 HE1 PHE 48 HE1 PHE 48 -3.908 -5.870 1.969 345 HE2 PHE 48 HE2 PHE 48 -3.427 -4.723 6.039 346 HZ PHE 48 HZ PHE 48 -4.654 -4.584 3.926 347 H VAL 49 H VAL 49 0.513 -4.682 2.881 348 HA VAL 49 HA VAL 49 1.451 -3.178 5.275 349 HB VAL 49 HB VAL 49 1.023 -2.184 2.426 350 1HG1 VAL 49 1HG1 VAL 49 2.368 -0.870 4.837 351 2HG1 VAL 49 2HG1 VAL 49 2.308 -0.194 3.221 352 3HG1 VAL 49 3HG1 VAL 49 0.834 -0.371 4.144 353 1HG2 VAL 49 1HG2 VAL 49 3.559 -2.928 3.936 354 2HG2 VAL 49 2HG2 VAL 49 2.857 -3.831 2.603 355 3HG2 VAL 49 3HG2 VAL 49 3.515 -2.233 2.327 356 H CYS 50 H CYS 50 -1.218 -2.762 2.815 357 HA CYS 50 HA CYS 50 -3.120 -2.222 4.990 358 1HB CYS 50 1HB CYS 50 -3.360 0.062 4.788 359 2HB CYS 50 2HB CYS 50 -1.712 0.018 4.220 360 H GLU 51 H GLU 51 -5.159 -1.261 3.820 361 HA GLU 51 HA GLU 51 -5.668 -2.949 1.437 362 1HB GLU 51 1HB GLU 51 -7.956 -1.633 2.882 363 2HB GLU 51 2HB GLU 51 -7.785 -3.252 2.258 364 1HG GLU 51 1HG GLU 51 -6.551 -3.991 4.213 365 2HG GLU 51 2HG GLU 51 -6.528 -2.360 4.870 366 H GLY 52 H GLY 52 -6.342 -1.800 -0.427 367 1HA GLY 52 1HA GLY 52 -5.616 0.896 -0.768 368 2HA GLY 52 2HA GLY 52 -6.712 0.059 -1.839 369 H GLU 53 H GLU 53 -7.162 2.691 -1.534 370 HA GLU 53 HA GLU 53 -9.806 2.818 -0.365 371 1HB GLU 53 1HB GLU 53 -9.214 4.606 1.341 372 2HB GLU 53 2HB GLU 53 -8.554 3.032 1.722 373 1HG GLU 53 1HG GLU 53 -6.364 3.715 0.666 374 2HG GLU 53 2HG GLU 53 -7.022 5.313 0.373 375 H SER 54 H SER 54 -9.207 3.258 -2.878 376 HA SER 54 HA SER 54 -9.193 4.743 -4.686 377 1HB SER 54 1HB SER 54 -11.102 6.411 -4.486 378 2HB SER 54 2HB SER 54 -11.537 4.780 -3.975 379 HG SER 54 HG SER 54 -10.906 7.024 -2.397 Start of MODEL 13 1 1H MET 1 1H MET 1 -10.884 17.763 -4.596 2 2H MET 1 2H MET 1 -10.801 19.453 -4.448 3 3H MET 1 3H MET 1 -9.385 18.552 -4.714 4 HA MET 1 HA MET 1 -9.417 19.170 -2.451 5 1HB MET 1 1HB MET 1 -12.286 18.651 -2.775 6 2HB MET 1 2HB MET 1 -11.689 17.725 -1.415 7 1HG MET 1 1HG MET 1 -12.423 19.924 -0.676 8 2HG MET 1 2HG MET 1 -10.712 19.733 -0.426 9 1HE MET 1 1HE MET 1 -13.190 20.939 -3.228 10 2HE MET 1 2HE MET 1 -13.511 21.875 -1.748 11 3HE MET 1 3HE MET 1 -12.852 22.658 -3.175 12 H LYS 2 H LYS 2 -8.185 17.879 -1.321 13 HA LYS 2 HA LYS 2 -7.015 16.059 -0.557 14 1HB LYS 2 1HB LYS 2 -9.268 15.313 0.268 15 2HB LYS 2 2HB LYS 2 -9.568 14.511 -1.251 16 1HG LYS 2 1HG LYS 2 -8.850 12.872 0.414 17 2HG LYS 2 2HG LYS 2 -7.691 12.957 -0.887 18 1HD LYS 2 1HD LYS 2 -6.523 12.837 1.265 19 2HD LYS 2 2HD LYS 2 -6.204 14.394 0.541 20 1HE LYS 2 1HE LYS 2 -7.952 15.429 2.000 21 2HE LYS 2 2HE LYS 2 -8.296 13.851 2.699 22 1HZ LYS 2 1HZ LYS 2 -5.692 15.257 2.799 23 2HZ LYS 2 2HZ LYS 2 -6.810 15.146 4.073 24 3HZ LYS 2 3HZ LYS 2 -6.036 13.747 3.496 25 H ALA 3 H ALA 3 -5.549 14.622 -1.304 26 HA ALA 3 HA ALA 3 -5.757 13.010 -3.549 27 1HB ALA 3 1HB ALA 3 -4.146 15.591 -3.965 28 2HB ALA 3 2HB ALA 3 -4.149 14.241 -5.089 29 3HB ALA 3 3HB ALA 3 -5.609 15.180 -4.841 30 H CYS 4 H CYS 4 -4.340 11.436 -3.271 31 HA CYS 4 HA CYS 4 -2.328 11.589 -1.187 32 1HB CYS 4 1HB CYS 4 -3.082 9.448 -3.178 33 2HB CYS 4 2HB CYS 4 -1.944 9.216 -1.890 34 H THR 5 H THR 5 -0.243 10.119 -2.000 35 HA THR 5 HA THR 5 1.324 11.949 -3.542 36 HB THR 5 HB THR 5 1.907 9.091 -2.523 37 HG1 THR 5 HG1 THR 5 2.217 11.715 -1.476 38 1HG2 THR 5 1HG2 THR 5 3.753 11.447 -3.110 39 2HG2 THR 5 2HG2 THR 5 4.237 9.847 -2.544 40 3HG2 THR 5 3HG2 THR 5 3.588 10.048 -4.170 41 H LEU 6 H LEU 6 -0.226 8.909 -4.092 42 HA LEU 6 HA LEU 6 -0.942 7.834 -6.000 43 1HB LEU 6 1HB LEU 6 0.380 10.006 -7.675 44 2HB LEU 6 2HB LEU 6 -0.935 8.943 -8.121 45 HG LEU 6 HG LEU 6 -1.111 11.140 -6.003 46 1HD1 LEU 6 1HD1 LEU 6 -2.312 10.960 -8.794 47 2HD1 LEU 6 2HD1 LEU 6 -2.608 12.249 -7.638 48 3HD1 LEU 6 3HD1 LEU 6 -1.001 12.021 -8.305 49 1HD2 LEU 6 1HD2 LEU 6 -3.287 9.293 -7.101 50 2HD2 LEU 6 2HD2 LEU 6 -2.618 9.209 -5.480 51 3HD2 LEU 6 3HD2 LEU 6 -3.543 10.613 -5.970 52 H ASN 7 H ASN 7 2.367 9.065 -6.079 53 HA ASN 7 HA ASN 7 3.431 7.301 -7.922 54 1HB ASN 7 1HB ASN 7 4.758 8.719 -5.577 55 2HB ASN 7 2HB ASN 7 5.634 7.984 -6.911 56 1HD2 ASN 7 2HD2 ASN 7 3.795 10.775 -5.936 57 2HD2 ASN 7 1HD2 ASN 7 3.915 11.615 -7.406 58 H CYS 8 H CYS 8 5.450 5.945 -7.071 59 HA CYS 8 HA CYS 8 4.319 3.627 -5.745 60 1HB CYS 8 1HB CYS 8 7.244 3.650 -5.970 61 2HB CYS 8 2HB CYS 8 6.087 2.526 -6.606 62 H ASP 9 H ASP 9 4.358 3.152 -3.683 63 HA ASP 9 HA ASP 9 5.640 4.960 -1.743 64 1HB ASP 9 1HB ASP 9 3.311 4.204 -1.442 65 2HB ASP 9 2HB ASP 9 3.819 2.542 -1.370 66 HA PRO 10 HA PRO 10 9.279 2.564 -2.333 67 1HB PRO 10 1HB PRO 10 10.381 3.167 0.292 68 2HB PRO 10 2HB PRO 10 10.851 3.809 -1.273 69 1HG PRO 10 1HG PRO 10 9.264 5.082 0.793 70 2HG PRO 10 2HG PRO 10 9.866 5.781 -0.703 71 1HD PRO 10 1HD PRO 10 7.163 5.166 -0.119 72 2HD PRO 10 2HD PRO 10 7.811 5.577 -1.715 73 H ARG 11 H ARG 11 7.813 2.212 0.781 74 HA ARG 11 HA ARG 11 8.930 -0.412 1.333 75 1HB ARG 11 1HB ARG 11 7.242 -0.464 3.213 76 2HB ARG 11 2HB ARG 11 8.331 0.912 3.238 77 1HG ARG 11 1HG ARG 11 6.738 2.399 2.524 78 2HG ARG 11 2HG ARG 11 5.747 1.199 1.733 79 1HD ARG 11 1HD ARG 11 5.236 0.332 4.131 80 2HD ARG 11 2HD ARG 11 5.887 1.896 4.660 81 HE ARG 11 HE ARG 11 4.176 2.331 2.463 82 1HH1 ARG 11 1HH1 ARG 11 4.038 1.304 5.767 83 2HH1 ARG 11 2HH1 ARG 11 2.423 1.879 6.016 84 1HH2 ARG 11 1HH2 ARG 11 2.102 3.077 2.751 85 2HH2 ARG 11 2HH2 ARG 11 1.310 2.901 4.281 86 H ILE 12 H ILE 12 5.943 0.722 -0.127 87 HA ILE 12 HA ILE 12 4.658 -1.898 -0.097 88 HB ILE 12 HB ILE 12 3.890 0.567 -1.615 89 1HG1 ILE 12 1HG1 ILE 12 3.228 -0.483 1.178 90 2HG1 ILE 12 2HG1 ILE 12 3.958 1.048 0.768 91 1HG2 ILE 12 1HG2 ILE 12 2.853 -1.547 -2.502 92 2HG2 ILE 12 2HG2 ILE 12 2.310 -1.962 -0.885 93 3HG2 ILE 12 3HG2 ILE 12 1.649 -0.566 -1.721 94 1HD1 ILE 12 1HD1 ILE 12 1.897 1.758 -0.336 95 2HD1 ILE 12 2HD1 ILE 12 1.125 0.243 0.129 96 3HD1 ILE 12 3HD1 ILE 12 1.646 1.373 1.366 97 H ALA 13 H ALA 13 4.401 -3.246 -1.835 98 HA ALA 13 HA ALA 13 6.282 -2.908 -4.118 99 1HB ALA 13 1HB ALA 13 4.656 -5.340 -3.223 100 2HB ALA 13 2HB ALA 13 5.839 -5.323 -4.523 101 3HB ALA 13 3HB ALA 13 6.354 -5.053 -2.880 102 H TYR 14 H TYR 14 2.973 -4.005 -3.467 103 HA TYR 14 HA TYR 14 1.866 -2.257 -5.515 104 1HB TYR 14 1HB TYR 14 1.084 -4.075 -7.058 105 2HB TYR 14 2HB TYR 14 2.830 -3.960 -7.005 106 HD1 TYR 14 HD1 TYR 14 4.147 -5.653 -5.695 107 HD2 TYR 14 HD2 TYR 14 -0.047 -6.058 -6.264 108 HE1 TYR 14 HE1 TYR 14 4.295 -7.999 -5.032 109 HE2 TYR 14 HE2 TYR 14 0.101 -8.408 -5.600 110 HH TYR 14 HH TYR 14 1.836 -10.210 -5.585 111 H GLY 15 H GLY 15 -0.439 -3.076 -6.104 112 1HA GLY 15 1HA GLY 15 -1.790 -4.150 -3.692 113 2HA GLY 15 2HA GLY 15 -2.336 -2.619 -4.360 114 H VAL 16 H VAL 16 -3.821 -4.962 -4.017 115 HA VAL 16 HA VAL 16 -4.651 -5.537 -6.834 116 HB VAL 16 HB VAL 16 -4.593 -7.619 -4.593 117 1HG1 VAL 16 1HG1 VAL 16 -4.979 -7.869 -7.631 118 2HG1 VAL 16 2HG1 VAL 16 -4.973 -9.204 -6.490 119 3HG1 VAL 16 3HG1 VAL 16 -6.265 -8.024 -6.438 120 1HG2 VAL 16 1HG2 VAL 16 -2.296 -6.927 -5.380 121 2HG2 VAL 16 2HG2 VAL 16 -2.655 -8.576 -5.845 122 3HG2 VAL 16 3HG2 VAL 16 -2.754 -7.278 -7.024 123 H CYS 17 H CYS 17 -6.509 -4.680 -7.121 124 HA CYS 17 HA CYS 17 -8.576 -4.586 -4.979 125 1HB CYS 17 1HB CYS 17 -8.504 -3.158 -7.644 126 2HB CYS 17 2HB CYS 17 -9.593 -2.824 -6.331 127 HA PRO 18 HA PRO 18 -10.881 -7.877 -6.281 128 1HB PRO 18 1HB PRO 18 -13.383 -6.392 -6.803 129 2HB PRO 18 2HB PRO 18 -13.036 -7.631 -5.606 130 1HG PRO 18 1HG PRO 18 -13.231 -4.857 -5.123 131 2HG PRO 18 2HG PRO 18 -12.603 -6.059 -4.005 132 1HD PRO 18 1HD PRO 18 -11.125 -3.998 -5.416 133 2HD PRO 18 2HD PRO 18 -10.512 -5.166 -4.235 134 H ARG 19 H ARG 19 -11.649 -9.080 -7.939 135 HA ARG 19 HA ARG 19 -11.886 -9.816 -10.080 136 1HB ARG 19 1HB ARG 19 -13.555 -7.605 -9.884 137 2HB ARG 19 2HB ARG 19 -12.576 -7.124 -11.243 138 1HG ARG 19 1HG ARG 19 -14.604 -8.255 -12.021 139 2HG ARG 19 2HG ARG 19 -13.209 -9.223 -12.434 140 1HD ARG 19 1HD ARG 19 -14.737 -9.797 -9.879 141 2HD ARG 19 2HD ARG 19 -15.318 -10.423 -11.418 142 HE ARG 19 HE ARG 19 -12.660 -11.162 -11.393 143 1HH1 ARG 19 1HH1 ARG 19 -15.330 -11.562 -9.219 144 2HH1 ARG 19 2HH1 ARG 19 -14.736 -13.061 -8.590 145 1HH2 ARG 19 1HH2 ARG 19 -11.894 -13.055 -10.615 146 2HH2 ARG 19 2HH2 ARG 19 -12.761 -13.920 -9.390 147 H SER 20 H SER 20 -9.378 -8.877 -9.242 148 HA SER 20 HA SER 20 -8.090 -8.097 -11.833 149 1HB SER 20 1HB SER 20 -6.200 -7.269 -10.331 150 2HB SER 20 2HB SER 20 -7.716 -6.408 -10.022 151 HG SER 20 HG SER 20 -6.980 -7.152 -8.078 152 H GLU 21 H GLU 21 -8.401 -10.355 -12.298 153 HA GLU 21 HA GLU 21 -7.037 -12.398 -10.868 154 1HB GLU 21 1HB GLU 21 -8.305 -12.271 -13.634 155 2HB GLU 21 2HB GLU 21 -7.587 -13.738 -13.002 156 1HG GLU 21 1HG GLU 21 -10.044 -13.710 -12.611 157 2HG GLU 21 2HG GLU 21 -9.169 -13.743 -11.096 158 H GLU 22 H GLU 22 -5.014 -12.649 -10.852 159 HA GLU 22 HA GLU 22 -2.770 -12.869 -11.408 160 1HB GLU 22 1HB GLU 22 -4.050 -13.464 -13.825 161 2HB GLU 22 2HB GLU 22 -3.034 -12.124 -14.312 162 1HG GLU 22 1HG GLU 22 -1.053 -13.313 -13.330 163 2HG GLU 22 2HG GLU 22 -2.096 -14.655 -12.884 164 H LYS 23 H LYS 23 -2.042 -11.206 -10.316 165 HA LYS 23 HA LYS 23 -1.088 -8.852 -11.677 166 1HB LYS 23 1HB LYS 23 -3.419 -8.142 -11.246 167 2HB LYS 23 2HB LYS 23 -3.295 -8.617 -9.567 168 1HG LYS 23 1HG LYS 23 -1.602 -6.847 -9.155 169 2HG LYS 23 2HG LYS 23 -1.638 -6.394 -10.847 170 1HD LYS 23 1HD LYS 23 -4.063 -6.294 -8.998 171 2HD LYS 23 2HD LYS 23 -3.016 -4.923 -9.294 172 1HE LYS 23 1HE LYS 23 -3.567 -4.972 -11.699 173 2HE LYS 23 2HE LYS 23 -4.577 -6.391 -11.474 174 1HZ LYS 23 1HZ LYS 23 -5.920 -5.079 -9.910 175 2HZ LYS 23 2HZ LYS 23 -4.997 -3.708 -10.304 176 3HZ LYS 23 3HZ LYS 23 -5.937 -4.472 -11.495 177 H LYS 24 H LYS 24 -1.308 -10.967 -9.069 178 HA LYS 24 HA LYS 24 0.606 -9.577 -7.326 179 1HB LYS 24 1HB LYS 24 0.254 -12.137 -6.206 180 2HB LYS 24 2HB LYS 24 -0.695 -10.736 -5.814 181 1HG LYS 24 1HG LYS 24 -1.506 -12.573 -8.094 182 2HG LYS 24 2HG LYS 24 -1.955 -12.901 -6.438 183 1HD LYS 24 1HD LYS 24 -3.216 -10.861 -6.243 184 2HD LYS 24 2HD LYS 24 -2.628 -10.215 -7.753 185 1HE LYS 24 1HE LYS 24 -4.898 -11.107 -8.053 186 2HE LYS 24 2HE LYS 24 -3.771 -12.095 -8.969 187 1HZ LYS 24 1HZ LYS 24 -4.688 -12.754 -6.233 188 2HZ LYS 24 2HZ LYS 24 -5.415 -13.350 -7.647 189 3HZ LYS 24 3HZ LYS 24 -3.802 -13.743 -7.291 190 H ASN 25 H ASN 25 1.850 -9.730 -9.483 191 HA ASN 25 HA ASN 25 4.140 -11.424 -9.038 192 1HB ASN 25 1HB ASN 25 2.035 -12.243 -10.997 193 2HB ASN 25 2HB ASN 25 3.626 -12.172 -11.724 194 1HD2 ASN 25 1HD2 ASN 25 1.572 -14.041 -9.704 195 2HD2 ASN 25 2HD2 ASN 25 2.718 -15.209 -9.249 196 H ASP 26 H ASP 26 3.269 -8.638 -9.328 197 HA ASP 26 HA ASP 26 5.450 -7.666 -10.977 198 1HB ASP 26 1HB ASP 26 2.622 -7.643 -11.952 199 2HB ASP 26 2HB ASP 26 3.377 -6.064 -11.999 200 H ARG 27 H ARG 27 6.295 -6.231 -9.715 201 HA ARG 27 HA ARG 27 4.785 -4.943 -7.553 202 1HB ARG 27 1HB ARG 27 7.011 -5.697 -6.988 203 2HB ARG 27 2HB ARG 27 7.710 -4.951 -8.406 204 1HG ARG 27 1HG ARG 27 6.386 -2.909 -6.802 205 2HG ARG 27 2HG ARG 27 7.441 -3.836 -5.779 206 1HD ARG 27 1HD ARG 27 9.345 -3.310 -7.310 207 2HD ARG 27 2HD ARG 27 8.254 -2.426 -8.369 208 HE ARG 27 HE ARG 27 8.307 -0.645 -6.860 209 1HH1 ARG 27 1HH1 ARG 27 9.342 -3.554 -5.275 210 2HH1 ARG 27 2HH1 ARG 27 9.762 -2.736 -3.810 211 1HH2 ARG 27 1HH2 ARG 27 8.837 0.404 -5.014 212 2HH2 ARG 27 2HH2 ARG 27 9.475 -0.466 -3.658 213 H ILE 28 H ILE 28 3.364 -3.795 -8.700 214 HA ILE 28 HA ILE 28 3.863 -1.887 -10.730 215 HB ILE 28 HB ILE 28 1.494 -1.505 -8.942 216 1HG1 ILE 28 1HG1 ILE 28 1.650 -3.932 -10.844 217 2HG1 ILE 28 2HG1 ILE 28 1.697 -4.116 -9.109 218 1HG2 ILE 28 1HG2 ILE 28 1.748 -0.257 -11.064 219 2HG2 ILE 28 2HG2 ILE 28 1.860 -1.773 -11.939 220 3HG2 ILE 28 3HG2 ILE 28 0.360 -1.306 -11.154 221 1HD1 ILE 28 1HD1 ILE 28 -0.518 -3.123 -8.856 222 2HD1 ILE 28 2HD1 ILE 28 -0.671 -2.990 -10.602 223 3HD1 ILE 28 3HD1 ILE 28 -0.527 -4.565 -9.854 224 H CYS 29 H CYS 29 3.024 0.467 -10.242 225 HA CYS 29 HA CYS 29 4.538 1.544 -7.900 226 1HB CYS 29 1HB CYS 29 5.472 2.228 -10.055 227 2HB CYS 29 2HB CYS 29 3.908 2.775 -10.601 228 H THR 30 H THR 30 3.070 1.788 -6.365 229 HA THR 30 HA THR 30 0.969 3.782 -6.659 230 HB THR 30 HB THR 30 -0.204 1.781 -7.607 231 HG1 THR 30 HG1 THR 30 -1.041 3.296 -5.801 232 1HG2 THR 30 1HG2 THR 30 0.371 0.447 -4.899 233 2HG2 THR 30 2HG2 THR 30 -0.600 -0.227 -6.198 234 3HG2 THR 30 3HG2 THR 30 1.128 -0.019 -6.410 235 H ASN 31 H ASN 31 -0.365 3.770 -4.441 236 HA ASN 31 HA ASN 31 1.382 3.030 -2.167 237 1HB ASN 31 1HB ASN 31 1.054 5.407 -1.244 238 2HB ASN 31 2HB ASN 31 2.094 5.336 -2.647 239 1HD2 ASN 31 2HD2 ASN 31 -0.198 7.228 -1.425 240 2HD2 ASN 31 1HD2 ASN 31 -0.832 7.814 -2.887 241 H CYS 32 H CYS 32 0.346 2.772 -0.245 242 HA CYS 32 HA CYS 32 -2.197 1.693 -0.150 243 1HB CYS 32 1HB CYS 32 -0.790 1.366 1.738 244 2HB CYS 32 2HB CYS 32 -0.560 3.080 1.982 245 H CYS 33 H CYS 33 -1.354 5.063 0.436 246 HA CYS 33 HA CYS 33 -3.943 6.001 1.170 247 1HB CYS 33 1HB CYS 33 -1.832 7.244 1.482 248 2HB CYS 33 2HB CYS 33 -1.691 7.450 -0.238 249 H ALA 34 H ALA 34 -2.321 5.885 -1.988 250 HA ALA 34 HA ALA 34 -4.472 7.041 -3.491 251 1HB ALA 34 1HB ALA 34 -2.311 5.091 -4.398 252 2HB ALA 34 2HB ALA 34 -3.322 6.051 -5.468 253 3HB ALA 34 3HB ALA 34 -2.195 6.849 -4.389 254 H GLY 35 H GLY 35 -4.030 3.978 -2.102 255 1HA GLY 35 1HA GLY 35 -5.415 2.168 -3.608 256 2HA GLY 35 2HA GLY 35 -5.387 2.150 -1.863 257 H THR 36 H THR 36 -7.537 1.073 -2.736 258 HA THR 36 HA THR 36 -9.695 3.058 -2.313 259 HB THR 36 HB THR 36 -10.113 0.927 -4.355 260 HG1 THR 36 HG1 THR 36 -8.191 1.937 -4.982 261 1HG2 THR 36 1HG2 THR 36 -10.902 3.902 -4.274 262 2HG2 THR 36 2HG2 THR 36 -11.473 2.730 -5.450 263 3HG2 THR 36 3HG2 THR 36 -11.983 2.614 -3.782 264 H LYS 37 H LYS 37 -11.812 1.322 -2.574 265 HA LYS 37 HA LYS 37 -11.621 -0.279 -0.116 266 1HB LYS 37 1HB LYS 37 -14.076 -0.962 -1.491 267 2HB LYS 37 2HB LYS 37 -13.881 -0.014 -0.049 268 1HG LYS 37 1HG LYS 37 -15.126 1.359 -1.484 269 2HG LYS 37 2HG LYS 37 -13.510 2.017 -1.579 270 1HD LYS 37 1HD LYS 37 -13.113 0.718 -3.703 271 2HD LYS 37 2HD LYS 37 -14.732 0.068 -3.574 272 1HE LYS 37 1HE LYS 37 -15.717 2.299 -3.780 273 2HE LYS 37 2HE LYS 37 -14.128 3.049 -3.785 274 1HZ LYS 37 1HZ LYS 37 -15.111 1.108 -5.795 275 2HZ LYS 37 2HZ LYS 37 -15.038 2.792 -6.003 276 3HZ LYS 37 3HZ LYS 37 -13.607 1.897 -5.814 277 H GLY 38 H GLY 38 -11.802 -2.461 0.067 278 1HA GLY 38 1HA GLY 38 -11.677 -4.714 -0.532 279 2HA GLY 38 2HA GLY 38 -12.090 -4.265 -2.178 280 H CYS 39 H CYS 39 -9.667 -2.336 -2.028 281 HA CYS 39 HA CYS 39 -7.802 -4.063 -3.316 282 1HB CYS 39 1HB CYS 39 -7.327 -1.348 -2.112 283 2HB CYS 39 2HB CYS 39 -6.365 -2.127 -3.330 284 H LYS 40 H LYS 40 -5.708 -4.570 -2.713 285 HA LYS 40 HA LYS 40 -5.114 -4.642 0.209 286 1HB LYS 40 1HB LYS 40 -4.916 -7.010 -1.709 287 2HB LYS 40 2HB LYS 40 -4.388 -7.018 -0.033 288 1HG LYS 40 1HG LYS 40 -6.733 -6.494 0.686 289 2HG LYS 40 2HG LYS 40 -7.247 -6.554 -0.992 290 1HD LYS 40 1HD LYS 40 -6.485 -8.918 -1.153 291 2HD LYS 40 2HD LYS 40 -5.996 -8.873 0.533 292 1HE LYS 40 1HE LYS 40 -8.842 -8.431 -0.478 293 2HE LYS 40 2HE LYS 40 -8.248 -9.894 0.293 294 1HZ LYS 40 1HZ LYS 40 -7.617 -8.381 2.206 295 2HZ LYS 40 2HZ LYS 40 -8.622 -7.223 1.477 296 3HZ LYS 40 3HZ LYS 40 -9.267 -8.711 1.979 297 H TYR 41 H TYR 41 -3.444 -3.378 0.273 298 HA TYR 41 HA TYR 41 -1.328 -3.423 -1.748 299 1HB TYR 41 1HB TYR 41 -2.165 -1.537 0.460 300 2HB TYR 41 2HB TYR 41 -0.563 -1.428 -0.216 301 HD1 TYR 41 HD1 TYR 41 -4.071 -1.872 -1.616 302 HD2 TYR 41 HD2 TYR 41 -0.342 0.182 -1.832 303 HE1 TYR 41 HE1 TYR 41 -4.897 -0.539 -3.498 304 HE2 TYR 41 HE2 TYR 41 -1.174 1.496 -3.693 305 HH TYR 41 HH TYR 41 -4.419 1.004 -5.026 306 H PHE 42 H PHE 42 0.335 -4.693 -1.444 307 HA PHE 42 HA PHE 42 1.426 -5.187 1.262 308 1HB PHE 42 1HB PHE 42 2.170 -7.389 -0.380 309 2HB PHE 42 2HB PHE 42 1.027 -7.342 0.938 310 HD1 PHE 42 HD1 PHE 42 1.018 -6.335 -2.663 311 HD2 PHE 42 HD2 PHE 42 -1.036 -8.252 0.540 312 HE1 PHE 42 HE1 PHE 42 -0.828 -6.866 -4.148 313 HE2 PHE 42 HE2 PHE 42 -2.893 -8.789 -0.964 314 HZ PHE 42 HZ PHE 42 -2.799 -8.102 -3.314 315 H SER 43 H SER 43 3.576 -5.362 1.484 316 HA SER 43 HA SER 43 5.262 -3.826 -0.231 317 1HB SER 43 1HB SER 43 5.745 -5.514 2.225 318 2HB SER 43 2HB SER 43 6.927 -4.460 1.505 319 HG SER 43 HG SER 43 5.235 -2.795 1.634 320 H ASP 44 H ASP 44 7.523 -4.767 -0.328 321 HA ASP 44 HA ASP 44 7.446 -7.018 -2.251 322 1HB ASP 44 1HB ASP 44 8.840 -4.600 -2.228 323 2HB ASP 44 2HB ASP 44 10.078 -5.720 -1.696 324 H ASP 45 H ASP 45 8.190 -6.373 0.948 325 HA ASP 45 HA ASP 45 10.176 -8.416 1.445 326 1HB ASP 45 1HB ASP 45 9.977 -6.413 2.865 327 2HB ASP 45 2HB ASP 45 8.320 -6.814 3.263 328 H GLY 46 H GLY 46 7.058 -8.782 0.470 329 1HA GLY 46 1HA GLY 46 5.647 -10.563 0.449 330 2HA GLY 46 2HA GLY 46 6.902 -11.510 1.278 331 H THR 47 H THR 47 5.102 -8.584 2.076 332 HA THR 47 HA THR 47 3.691 -9.776 4.233 333 HB THR 47 HB THR 47 6.078 -9.064 4.853 334 HG1 THR 47 HG1 THR 47 4.286 -9.378 6.342 335 1HG2 THR 47 1HG2 THR 47 4.805 -6.274 4.876 336 2HG2 THR 47 2HG2 THR 47 6.380 -6.685 5.531 337 3HG2 THR 47 3HG2 THR 47 6.099 -6.801 3.805 338 H PHE 48 H PHE 48 1.925 -8.626 4.815 339 HA PHE 48 HA PHE 48 0.843 -6.812 2.845 340 1HB PHE 48 1HB PHE 48 -0.483 -8.620 3.795 341 2HB PHE 48 2HB PHE 48 -0.287 -7.959 5.408 342 HD1 PHE 48 HD1 PHE 48 -1.418 -6.812 2.010 343 HD2 PHE 48 HD2 PHE 48 -2.037 -6.662 6.225 344 HE1 PHE 48 HE1 PHE 48 -3.400 -5.419 1.671 345 HE2 PHE 48 HE2 PHE 48 -4.021 -5.264 5.879 346 HZ PHE 48 HZ PHE 48 -4.694 -4.648 3.608 347 H VAL 49 H VAL 49 0.342 -4.753 2.944 348 HA VAL 49 HA VAL 49 1.331 -3.154 5.265 349 HB VAL 49 HB VAL 49 0.727 -2.241 2.411 350 1HG1 VAL 49 1HG1 VAL 49 2.129 -0.812 4.713 351 2HG1 VAL 49 2HG1 VAL 49 1.945 -0.193 3.082 352 3HG1 VAL 49 3HG1 VAL 49 0.534 -0.408 4.097 353 1HG2 VAL 49 1HG2 VAL 49 2.641 -3.828 2.570 354 2HG2 VAL 49 2HG2 VAL 49 3.188 -2.213 2.185 355 3HG2 VAL 49 3HG2 VAL 49 3.357 -2.828 3.820 356 H CYS 50 H CYS 50 -1.360 -2.673 2.865 357 HA CYS 50 HA CYS 50 -3.267 -2.416 5.090 358 1HB CYS 50 1HB CYS 50 -3.602 -0.135 5.071 359 2HB CYS 50 2HB CYS 50 -1.951 -0.090 4.523 360 H GLU 51 H GLU 51 -5.506 -1.864 4.268 361 HA GLU 51 HA GLU 51 -5.925 -3.333 1.757 362 1HB GLU 51 1HB GLU 51 -8.268 -2.380 3.403 363 2HB GLU 51 2HB GLU 51 -7.969 -3.902 2.607 364 1HG GLU 51 1HG GLU 51 -6.510 -4.643 4.432 365 2HG GLU 51 2HG GLU 51 -6.660 -3.081 5.226 366 H GLY 52 H GLY 52 -4.947 -1.320 0.729 367 1HA GLY 52 1HA GLY 52 -5.228 0.511 -0.677 368 2HA GLY 52 2HA GLY 52 -6.932 0.103 -0.704 369 H GLU 53 H GLU 53 -8.000 1.960 -0.302 370 HA GLU 53 HA GLU 53 -7.463 3.326 2.257 371 1HB GLU 53 1HB GLU 53 -6.011 4.466 0.545 372 2HB GLU 53 2HB GLU 53 -7.447 4.875 -0.365 373 1HG GLU 53 1HG GLU 53 -6.682 6.776 1.059 374 2HG GLU 53 2HG GLU 53 -8.292 6.256 1.503 375 H SER 54 H SER 54 -9.629 3.059 -0.558 376 HA SER 54 HA SER 54 -11.677 4.639 0.881 377 1HB SER 54 1HB SER 54 -11.780 3.200 -1.803 378 2HB SER 54 2HB SER 54 -13.012 4.313 -1.194 379 HG SER 54 HG SER 54 -10.442 4.807 -2.087 Start of MODEL 14 1 1H MET 1 1H MET 1 -10.688 11.208 -4.093 2 2H MET 1 2H MET 1 -10.726 12.856 -4.503 3 3H MET 1 3H MET 1 -9.418 12.230 -3.618 4 HA MET 1 HA MET 1 -10.810 13.420 -2.139 5 1HB MET 1 1HB MET 1 -12.901 12.385 -3.800 6 2HB MET 1 2HB MET 1 -13.178 11.668 -2.228 7 1HG MET 1 1HG MET 1 -13.025 13.945 -1.208 8 2HG MET 1 2HG MET 1 -12.834 14.620 -2.801 9 1HE MET 1 1HE MET 1 -15.187 12.199 -0.817 10 2HE MET 1 2HE MET 1 -15.191 13.782 0.000 11 3HE MET 1 3HE MET 1 -16.639 13.179 -0.787 12 H LYS 2 H LYS 2 -10.498 12.804 -0.123 13 HA LYS 2 HA LYS 2 -9.708 11.520 1.641 14 1HB LYS 2 1HB LYS 2 -11.875 9.621 0.560 15 2HB LYS 2 2HB LYS 2 -11.201 9.569 2.180 16 1HG LYS 2 1HG LYS 2 -12.073 11.840 2.650 17 2HG LYS 2 2HG LYS 2 -12.680 11.972 1.012 18 1HD LYS 2 1HD LYS 2 -14.533 11.385 2.476 19 2HD LYS 2 2HD LYS 2 -14.199 10.026 1.424 20 1HE LYS 2 1HE LYS 2 -12.946 8.897 3.257 21 2HE LYS 2 2HE LYS 2 -13.218 10.284 4.304 22 1HZ LYS 2 1HZ LYS 2 -15.594 9.909 4.100 23 2HZ LYS 2 2HZ LYS 2 -15.307 8.554 3.115 24 3HZ LYS 2 3HZ LYS 2 -14.799 8.548 4.735 25 H ALA 3 H ALA 3 -7.937 11.382 -0.090 26 HA ALA 3 HA ALA 3 -6.578 8.994 0.300 27 1HB ALA 3 1HB ALA 3 -7.672 9.396 -2.537 28 2HB ALA 3 2HB ALA 3 -6.483 8.177 -2.129 29 3HB ALA 3 3HB ALA 3 -8.102 8.068 -1.475 30 H CYS 4 H CYS 4 -4.464 9.083 -0.275 31 HA CYS 4 HA CYS 4 -3.236 11.628 -0.523 32 1HB CYS 4 1HB CYS 4 -2.405 8.789 -0.468 33 2HB CYS 4 2HB CYS 4 -1.244 9.846 -1.198 34 H THR 5 H THR 5 -1.214 11.566 -2.215 35 HA THR 5 HA THR 5 -2.260 12.420 -4.694 36 HB THR 5 HB THR 5 0.651 11.736 -3.966 37 HG1 THR 5 HG1 THR 5 -0.360 13.011 -2.407 38 1HG2 THR 5 1HG2 THR 5 -0.609 13.966 -5.643 39 2HG2 THR 5 2HG2 THR 5 1.113 13.678 -5.410 40 3HG2 THR 5 3HG2 THR 5 0.156 12.558 -6.369 41 H LEU 6 H LEU 6 -2.131 9.326 -3.746 42 HA LEU 6 HA LEU 6 -2.354 7.295 -4.809 43 1HB LEU 6 1HB LEU 6 -2.189 8.725 -7.490 44 2HB LEU 6 2HB LEU 6 -2.979 7.212 -7.115 45 HG LEU 6 HG LEU 6 -3.905 9.977 -6.215 46 1HD1 LEU 6 1HD1 LEU 6 -4.357 9.481 -8.584 47 2HD1 LEU 6 2HD1 LEU 6 -5.130 7.967 -8.139 48 3HD1 LEU 6 3HD1 LEU 6 -5.852 9.497 -7.666 49 1HD2 LEU 6 1HD2 LEU 6 -5.161 7.262 -5.632 50 2HD2 LEU 6 2HD2 LEU 6 -4.411 8.334 -4.454 51 3HD2 LEU 6 3HD2 LEU 6 -5.882 8.823 -5.264 52 H ASN 7 H ASN 7 0.344 9.174 -5.069 53 HA ASN 7 HA ASN 7 2.000 8.017 -6.904 54 1HB ASN 7 1HB ASN 7 2.677 9.178 -4.178 55 2HB ASN 7 2HB ASN 7 3.849 8.919 -5.460 56 1HD2 ASN 7 2HD2 ASN 7 3.511 11.490 -4.507 57 2HD2 ASN 7 1HD2 ASN 7 2.724 12.448 -5.667 58 H CYS 8 H CYS 8 4.016 6.873 -6.385 59 HA CYS 8 HA CYS 8 3.390 4.233 -5.270 60 1HB CYS 8 1HB CYS 8 6.190 4.683 -6.025 61 2HB CYS 8 2HB CYS 8 5.079 3.470 -6.562 62 H ASP 9 H ASP 9 3.920 3.530 -3.326 63 HA ASP 9 HA ASP 9 5.491 5.278 -1.512 64 1HB ASP 9 1HB ASP 9 3.251 4.468 -0.796 65 2HB ASP 9 2HB ASP 9 3.795 2.814 -0.934 66 HA PRO 10 HA PRO 10 8.885 2.765 -2.919 67 1HB PRO 10 1HB PRO 10 10.548 3.509 -0.642 68 2HB PRO 10 2HB PRO 10 10.686 4.003 -2.321 69 1HG PRO 10 1HG PRO 10 9.687 5.539 -0.109 70 2HG PRO 10 2HG PRO 10 9.832 6.040 -1.787 71 1HD PRO 10 1HD PRO 10 7.418 5.480 -0.349 72 2HD PRO 10 2HD PRO 10 7.568 5.881 -2.066 73 H ARG 11 H ARG 11 7.830 2.497 0.359 74 HA ARG 11 HA ARG 11 9.213 -0.014 0.890 75 1HB ARG 11 1HB ARG 11 7.697 -0.018 2.937 76 2HB ARG 11 2HB ARG 11 8.799 1.329 2.789 77 1HG ARG 11 1HG ARG 11 7.154 2.871 2.276 78 2HG ARG 11 2HG ARG 11 6.051 1.689 1.597 79 1HD ARG 11 1HD ARG 11 6.727 1.965 4.553 80 2HD ARG 11 2HD ARG 11 5.231 2.501 3.778 81 HE ARG 11 HE ARG 11 5.558 -0.165 3.029 82 1HH1 ARG 11 1HH1 ARG 11 5.202 1.635 5.969 83 2HH1 ARG 11 2HH1 ARG 11 4.439 0.333 6.817 84 1HH2 ARG 11 1HH2 ARG 11 4.597 -1.832 4.082 85 2HH2 ARG 11 2HH2 ARG 11 4.084 -1.668 5.729 86 H ILE 12 H ILE 12 6.049 0.937 -0.257 87 HA ILE 12 HA ILE 12 4.876 -1.722 -0.014 88 HB ILE 12 HB ILE 12 3.910 0.761 -1.442 89 1HG1 ILE 12 1HG1 ILE 12 3.318 -0.610 1.229 90 2HG1 ILE 12 2HG1 ILE 12 4.108 0.926 1.023 91 1HG2 ILE 12 1HG2 ILE 12 2.936 -1.334 -2.470 92 2HG2 ILE 12 2HG2 ILE 12 2.443 -1.877 -0.874 93 3HG2 ILE 12 3HG2 ILE 12 1.720 -0.447 -1.592 94 1HD1 ILE 12 1HD1 ILE 12 2.036 1.847 0.056 95 2HD1 ILE 12 2HD1 ILE 12 1.231 0.300 0.315 96 3HD1 ILE 12 3HD1 ILE 12 1.794 1.238 1.689 97 H ALA 13 H ALA 13 4.532 -3.158 -1.717 98 HA ALA 13 HA ALA 13 6.358 -2.894 -4.046 99 1HB ALA 13 1HB ALA 13 4.725 -5.275 -3.067 100 2HB ALA 13 2HB ALA 13 5.883 -5.308 -4.385 101 3HB ALA 13 3HB ALA 13 6.430 -4.992 -2.756 102 H TYR 14 H TYR 14 3.059 -3.997 -3.418 103 HA TYR 14 HA TYR 14 1.947 -2.362 -5.548 104 1HB TYR 14 1HB TYR 14 1.229 -4.297 -7.009 105 2HB TYR 14 2HB TYR 14 2.966 -4.105 -6.971 106 HD1 TYR 14 HD1 TYR 14 0.158 -6.207 -5.851 107 HD2 TYR 14 HD2 TYR 14 4.389 -5.758 -5.920 108 HE1 TYR 14 HE1 TYR 14 0.418 -8.532 -5.143 109 HE2 TYR 14 HE2 TYR 14 4.648 -8.083 -5.212 110 HH TYR 14 HH TYR 14 2.508 -10.339 -5.483 111 H GLY 15 H GLY 15 -0.316 -3.687 -6.129 112 1HA GLY 15 1HA GLY 15 -1.602 -4.727 -3.741 113 2HA GLY 15 2HA GLY 15 -2.105 -3.089 -4.144 114 H VAL 16 H VAL 16 -3.719 -5.370 -4.063 115 HA VAL 16 HA VAL 16 -4.588 -5.578 -6.937 116 HB VAL 16 HB VAL 16 -5.108 -7.700 -4.812 117 1HG1 VAL 16 1HG1 VAL 16 -5.193 -7.752 -7.875 118 2HG1 VAL 16 2HG1 VAL 16 -5.557 -9.113 -6.826 119 3HG1 VAL 16 3HG1 VAL 16 -6.604 -7.708 -6.830 120 1HG2 VAL 16 1HG2 VAL 16 -2.651 -7.469 -5.196 121 2HG2 VAL 16 2HG2 VAL 16 -3.267 -8.987 -5.798 122 3HG2 VAL 16 3HG2 VAL 16 -2.900 -7.676 -6.916 123 H CYS 17 H CYS 17 -6.742 -5.435 -7.340 124 HA CYS 17 HA CYS 17 -8.586 -4.772 -5.092 125 1HB CYS 17 1HB CYS 17 -8.490 -3.241 -7.726 126 2HB CYS 17 2HB CYS 17 -9.377 -2.813 -6.300 127 HA PRO 18 HA PRO 18 -11.572 -7.321 -7.266 128 1HB PRO 18 1HB PRO 18 -13.329 -5.044 -8.044 129 2HB PRO 18 2HB PRO 18 -13.708 -6.495 -7.123 130 1HG PRO 18 1HG PRO 18 -13.410 -4.030 -5.964 131 2HG PRO 18 2HG PRO 18 -13.064 -5.530 -5.111 132 1HD PRO 18 1HD PRO 18 -11.191 -3.526 -6.241 133 2HD PRO 18 2HD PRO 18 -10.919 -4.642 -4.884 134 H ARG 19 H ARG 19 -12.870 -7.490 -9.365 135 HA ARG 19 HA ARG 19 -12.604 -8.051 -11.618 136 1HB ARG 19 1HB ARG 19 -12.271 -5.723 -13.002 137 2HB ARG 19 2HB ARG 19 -13.763 -6.168 -12.226 138 1HG ARG 19 1HG ARG 19 -13.242 -4.751 -10.276 139 2HG ARG 19 2HG ARG 19 -11.682 -4.339 -10.980 140 1HD ARG 19 1HD ARG 19 -13.248 -2.557 -11.401 141 2HD ARG 19 2HD ARG 19 -12.802 -3.315 -12.921 142 HE ARG 19 HE ARG 19 -15.423 -3.557 -11.523 143 1HH1 ARG 19 1HH1 ARG 19 -13.424 -4.345 -14.260 144 2HH1 ARG 19 2HH1 ARG 19 -14.769 -4.874 -15.210 145 1HH2 ARG 19 1HH2 ARG 19 -17.112 -4.228 -12.716 146 2HH2 ARG 19 2HH2 ARG 19 -16.876 -4.813 -14.330 147 H SER 20 H SER 20 -10.340 -8.454 -10.237 148 HA SER 20 HA SER 20 -8.043 -8.787 -10.308 149 1HB SER 20 1HB SER 20 -7.323 -9.819 -12.508 150 2HB SER 20 2HB SER 20 -8.903 -10.420 -11.997 151 HG SER 20 HG SER 20 -9.884 -9.015 -13.382 152 H GLU 21 H GLU 21 -7.901 -6.423 -9.862 153 HA GLU 21 HA GLU 21 -6.964 -4.656 -11.892 154 1HB GLU 21 1HB GLU 21 -8.201 -3.865 -9.959 155 2HB GLU 21 2HB GLU 21 -7.033 -4.553 -8.863 156 1HG GLU 21 1HG GLU 21 -6.257 -2.366 -10.828 157 2HG GLU 21 2HG GLU 21 -6.969 -1.975 -9.276 158 H GLU 22 H GLU 22 -5.204 -5.438 -12.868 159 HA GLU 22 HA GLU 22 -3.018 -5.950 -13.336 160 1HB GLU 22 1HB GLU 22 -2.981 -3.762 -11.694 161 2HB GLU 22 2HB GLU 22 -1.959 -4.835 -10.768 162 1HG GLU 22 1HG GLU 22 -1.540 -4.182 -13.727 163 2HG GLU 22 2HG GLU 22 -0.749 -3.322 -12.422 164 H LYS 23 H LYS 23 -1.514 -7.488 -13.142 165 HA LYS 23 HA LYS 23 -2.050 -9.758 -11.523 166 1HB LYS 23 1HB LYS 23 0.116 -8.855 -13.407 167 2HB LYS 23 2HB LYS 23 0.584 -10.133 -12.306 168 1HG LYS 23 1HG LYS 23 -1.989 -10.388 -13.882 169 2HG LYS 23 2HG LYS 23 -0.468 -10.656 -14.691 170 1HD LYS 23 1HD LYS 23 -1.356 -12.797 -13.910 171 2HD LYS 23 2HD LYS 23 0.133 -12.431 -13.074 172 1HE LYS 23 1HE LYS 23 -1.562 -13.350 -11.536 173 2HE LYS 23 2HE LYS 23 -1.151 -11.713 -11.071 174 1HZ LYS 23 1HZ LYS 23 -3.224 -11.441 -12.843 175 2HZ LYS 23 2HZ LYS 23 -3.641 -12.798 -11.912 176 3HZ LYS 23 3HZ LYS 23 -3.313 -11.318 -11.151 177 H LYS 24 H LYS 24 -1.006 -10.511 -9.656 178 HA LYS 24 HA LYS 24 0.103 -8.375 -7.946 179 1HB LYS 24 1HB LYS 24 0.048 -10.671 -6.334 180 2HB LYS 24 2HB LYS 24 -1.236 -9.522 -6.481 181 1HG LYS 24 1HG LYS 24 -1.075 -11.973 -8.258 182 2HG LYS 24 2HG LYS 24 -1.861 -11.991 -6.698 183 1HD LYS 24 1HD LYS 24 -3.387 -10.113 -7.517 184 2HD LYS 24 2HD LYS 24 -2.727 -10.312 -9.120 185 1HE LYS 24 1HE LYS 24 -4.164 -12.450 -7.513 186 2HE LYS 24 2HE LYS 24 -4.784 -11.604 -8.922 187 1HZ LYS 24 1HZ LYS 24 -2.315 -12.696 -9.602 188 2HZ LYS 24 2HZ LYS 24 -3.218 -13.909 -8.830 189 3HZ LYS 24 3HZ LYS 24 -3.853 -13.112 -10.189 190 H ASN 25 H ASN 25 1.892 -8.584 -9.716 191 HA ASN 25 HA ASN 25 4.246 -9.501 -8.369 192 1HB ASN 25 1HB ASN 25 2.894 -11.370 -10.228 193 2HB ASN 25 2HB ASN 25 4.554 -11.115 -10.691 194 1HD2 ASN 25 2HD2 ASN 25 2.624 -13.035 -8.781 195 2HD2 ASN 25 1HD2 ASN 25 3.783 -13.559 -7.655 196 H ASP 26 H ASP 26 3.244 -7.087 -9.826 197 HA ASP 26 HA ASP 26 5.699 -6.741 -11.484 198 1HB ASP 26 1HB ASP 26 3.169 -5.556 -12.640 199 2HB ASP 26 2HB ASP 26 4.573 -6.196 -13.468 200 H ARG 27 H ARG 27 5.312 -5.827 -9.021 201 HA ARG 27 HA ARG 27 4.987 -3.901 -7.653 202 1HB ARG 27 1HB ARG 27 7.333 -4.205 -7.890 203 2HB ARG 27 2HB ARG 27 7.346 -3.606 -9.530 204 1HG ARG 27 1HG ARG 27 6.377 -1.525 -7.666 205 2HG ARG 27 2HG ARG 27 7.920 -2.157 -7.156 206 1HD ARG 27 1HD ARG 27 8.962 -1.608 -9.276 207 2HD ARG 27 2HD ARG 27 7.421 -1.154 -9.991 208 HE ARG 27 HE ARG 27 8.077 0.320 -7.551 209 1HH1 ARG 27 1HH1 ARG 27 8.387 0.169 -11.004 210 2HH1 ARG 27 2HH1 ARG 27 8.665 1.870 -11.161 211 1HH2 ARG 27 1HH2 ARG 27 8.427 2.469 -7.732 212 2HH2 ARG 27 2HH2 ARG 27 8.691 3.192 -9.284 213 H ILE 28 H ILE 28 2.913 -2.930 -8.263 214 HA ILE 28 HA ILE 28 2.770 -1.038 -10.401 215 HB ILE 28 HB ILE 28 0.802 -1.099 -8.152 216 1HG1 ILE 28 1HG1 ILE 28 0.720 -3.144 -10.438 217 2HG1 ILE 28 2HG1 ILE 28 1.429 -3.643 -8.937 218 1HG2 ILE 28 1HG2 ILE 28 0.536 -0.953 -11.154 219 2HG2 ILE 28 2HG2 ILE 28 -0.812 -0.885 -10.026 220 3HG2 ILE 28 3HG2 ILE 28 0.370 0.392 -10.037 221 1HD1 ILE 28 1HD1 ILE 28 -0.726 -3.076 -7.786 222 2HD1 ILE 28 2HD1 ILE 28 -1.445 -2.753 -9.351 223 3HD1 ILE 28 3HD1 ILE 28 -0.872 -4.364 -8.966 224 H CYS 29 H CYS 29 1.775 1.155 -9.639 225 HA CYS 29 HA CYS 29 3.584 2.364 -7.589 226 1HB CYS 29 1HB CYS 29 3.959 3.283 -9.817 227 2HB CYS 29 2HB CYS 29 2.251 3.576 -10.034 228 H THR 30 H THR 30 2.359 2.110 -5.817 229 HA THR 30 HA THR 30 0.017 3.859 -5.556 230 HB THR 30 HB THR 30 -0.998 1.715 -6.391 231 HG1 THR 30 HG1 THR 30 -1.341 2.081 -3.605 232 1HG2 THR 30 1HG2 THR 30 0.158 0.459 -3.834 233 2HG2 THR 30 2HG2 THR 30 -0.885 -0.330 -5.005 234 3HG2 THR 30 3HG2 THR 30 0.754 0.103 -5.449 235 H ASN 31 H ASN 31 -0.774 3.891 -3.336 236 HA ASN 31 HA ASN 31 1.212 3.200 -1.250 237 1HB ASN 31 1HB ASN 31 1.035 5.563 -0.345 238 2HB ASN 31 2HB ASN 31 1.814 5.505 -1.911 239 1HD2 ASN 31 2HD2 ASN 31 -0.008 7.543 -0.414 240 2HD2 ASN 31 1HD2 ASN 31 -1.036 8.024 -1.675 241 H CYS 32 H CYS 32 0.340 2.739 0.704 242 HA CYS 32 HA CYS 32 -2.331 1.921 0.955 243 1HB CYS 32 1HB CYS 32 -0.766 1.082 2.534 244 2HB CYS 32 2HB CYS 32 -0.269 2.681 3.027 245 H CYS 33 H CYS 33 -0.950 5.056 1.836 246 HA CYS 33 HA CYS 33 -3.196 6.128 3.191 247 1HB CYS 33 1HB CYS 33 -1.131 7.325 3.265 248 2HB CYS 33 2HB CYS 33 -1.039 7.430 1.526 249 H ALA 34 H ALA 34 -2.482 5.944 -0.239 250 HA ALA 34 HA ALA 34 -4.752 7.546 -1.074 251 1HB ALA 34 1HB ALA 34 -3.054 5.544 -2.619 252 2HB ALA 34 2HB ALA 34 -4.215 6.641 -3.332 253 3HB ALA 34 3HB ALA 34 -2.789 7.281 -2.530 254 H GLY 35 H GLY 35 -4.097 4.137 -1.697 255 1HA GLY 35 1HA GLY 35 -5.433 2.261 -1.734 256 2HA GLY 35 2HA GLY 35 -6.373 3.083 -0.516 257 H THR 36 H THR 36 -7.495 1.371 -2.435 258 HA THR 36 HA THR 36 -9.358 3.214 -3.754 259 HB THR 36 HB THR 36 -8.370 0.887 -5.396 260 HG1 THR 36 HG1 THR 36 -7.148 3.425 -5.000 261 1HG2 THR 36 1HG2 THR 36 -9.099 3.778 -6.121 262 2HG2 THR 36 2HG2 THR 36 -8.810 2.478 -7.263 263 3HG2 THR 36 3HG2 THR 36 -10.235 2.451 -6.247 264 H LYS 37 H LYS 37 -11.050 1.612 -4.898 265 HA LYS 37 HA LYS 37 -12.763 0.518 -3.135 266 1HB LYS 37 1HB LYS 37 -12.453 -1.151 -5.625 267 2HB LYS 37 2HB LYS 37 -13.897 -0.502 -4.890 268 1HG LYS 37 1HG LYS 37 -11.835 1.076 -6.493 269 2HG LYS 37 2HG LYS 37 -13.409 0.564 -7.047 270 1HD LYS 37 1HD LYS 37 -14.548 1.948 -5.373 271 2HD LYS 37 2HD LYS 37 -13.020 2.415 -4.660 272 1HE LYS 37 1HE LYS 37 -13.844 4.200 -6.155 273 2HE LYS 37 2HE LYS 37 -12.362 3.519 -6.806 274 1HZ LYS 37 1HZ LYS 37 -15.044 2.587 -7.626 275 2HZ LYS 37 2HZ LYS 37 -14.220 3.845 -8.415 276 3HZ LYS 37 3HZ LYS 37 -13.554 2.283 -8.381 277 H GLY 38 H GLY 38 -12.150 -0.576 -1.426 278 1HA GLY 38 1HA GLY 38 -11.281 -2.242 -0.036 279 2HA GLY 38 2HA GLY 38 -12.288 -3.242 -1.063 280 H CYS 39 H CYS 39 -9.298 -1.619 -1.913 281 HA CYS 39 HA CYS 39 -8.156 -3.981 -3.100 282 1HB CYS 39 1HB CYS 39 -6.820 -1.386 -2.358 283 2HB CYS 39 2HB CYS 39 -6.243 -2.579 -3.481 284 H LYS 40 H LYS 40 -5.816 -4.413 -2.604 285 HA LYS 40 HA LYS 40 -5.209 -4.631 0.298 286 1HB LYS 40 1HB LYS 40 -4.531 -7.083 -0.171 287 2HB LYS 40 2HB LYS 40 -6.245 -6.742 -0.088 288 1HG LYS 40 1HG LYS 40 -6.420 -6.737 -2.539 289 2HG LYS 40 2HG LYS 40 -4.692 -6.929 -2.723 290 1HD LYS 40 1HD LYS 40 -5.746 -9.094 -3.047 291 2HD LYS 40 2HD LYS 40 -4.881 -9.154 -1.527 292 1HE LYS 40 1HE LYS 40 -6.999 -8.751 -0.285 293 2HE LYS 40 2HE LYS 40 -7.873 -8.629 -1.807 294 1HZ LYS 40 1HZ LYS 40 -7.234 -10.895 -2.307 295 2HZ LYS 40 2HZ LYS 40 -6.392 -11.003 -0.835 296 3HZ LYS 40 3HZ LYS 40 -8.079 -10.807 -0.836 297 H TYR 41 H TYR 41 -3.495 -3.313 0.248 298 HA TYR 41 HA TYR 41 -1.428 -3.552 -1.816 299 1HB TYR 41 1HB TYR 41 -1.912 -1.555 0.419 300 2HB TYR 41 2HB TYR 41 -0.589 -1.484 -0.703 301 HD1 TYR 41 HD1 TYR 41 -3.420 -2.617 -2.597 302 HD2 TYR 41 HD2 TYR 41 -1.769 0.861 -0.772 303 HE1 TYR 41 HE1 TYR 41 -4.743 -1.209 -4.072 304 HE2 TYR 41 HE2 TYR 41 -3.119 2.260 -2.257 305 HH TYR 41 HH TYR 41 -5.657 1.491 -3.715 306 H PHE 42 H PHE 42 0.339 -4.664 -1.478 307 HA PHE 42 HA PHE 42 1.335 -5.223 1.243 308 1HB PHE 42 1HB PHE 42 2.228 -7.229 -0.632 309 2HB PHE 42 2HB PHE 42 1.243 -7.376 0.793 310 HD1 PHE 42 HD1 PHE 42 0.876 -6.330 -2.767 311 HD2 PHE 42 HD2 PHE 42 -0.897 -8.240 0.603 312 HE1 PHE 42 HE1 PHE 42 -1.048 -6.959 -4.127 313 HE2 PHE 42 HE2 PHE 42 -2.826 -8.870 -0.764 314 HZ PHE 42 HZ PHE 42 -2.912 -8.235 -3.137 315 H SER 43 H SER 43 3.507 -5.304 1.562 316 HA SER 43 HA SER 43 5.175 -3.631 -0.065 317 1HB SER 43 1HB SER 43 5.499 -5.203 2.478 318 2HB SER 43 2HB SER 43 6.816 -4.316 1.775 319 HG SER 43 HG SER 43 5.497 -2.457 1.763 320 H ASP 44 H ASP 44 7.485 -4.486 0.034 321 HA ASP 44 HA ASP 44 7.614 -6.665 -1.965 322 1HB ASP 44 1HB ASP 44 8.879 -4.203 -1.808 323 2HB ASP 44 2HB ASP 44 10.148 -5.274 -1.250 324 H ASP 45 H ASP 45 8.359 -6.228 1.344 325 HA ASP 45 HA ASP 45 10.368 -8.345 1.494 326 1HB ASP 45 1HB ASP 45 10.299 -7.969 3.895 327 2HB ASP 45 2HB ASP 45 10.214 -6.399 3.121 328 H GLY 46 H GLY 46 7.293 -8.627 0.657 329 1HA GLY 46 1HA GLY 46 5.869 -10.386 0.533 330 2HA GLY 46 2HA GLY 46 7.059 -11.371 1.400 331 H THR 47 H THR 47 5.124 -8.480 2.100 332 HA THR 47 HA THR 47 3.701 -9.756 4.217 333 HB THR 47 HB THR 47 5.587 -7.403 4.689 334 HG1 THR 47 HG1 THR 47 6.672 -9.302 4.720 335 1HG2 THR 47 1HG2 THR 47 3.842 -8.943 6.717 336 2HG2 THR 47 2HG2 THR 47 4.934 -7.626 7.113 337 3HG2 THR 47 3HG2 THR 47 3.479 -7.309 6.185 338 H PHE 48 H PHE 48 1.789 -8.840 4.583 339 HA PHE 48 HA PHE 48 0.751 -6.958 2.660 340 1HB PHE 48 1HB PHE 48 -0.612 -8.812 3.531 341 2HB PHE 48 2HB PHE 48 -0.461 -8.189 5.162 342 HD1 PHE 48 HD1 PHE 48 -1.315 -6.529 1.873 343 HD2 PHE 48 HD2 PHE 48 -2.527 -7.379 5.872 344 HE1 PHE 48 HE1 PHE 48 -3.332 -5.186 1.555 345 HE2 PHE 48 HE2 PHE 48 -4.543 -6.029 5.541 346 HZ PHE 48 HZ PHE 48 -4.953 -4.933 3.385 347 H VAL 49 H VAL 49 0.197 -4.871 2.885 348 HA VAL 49 HA VAL 49 1.215 -3.454 5.314 349 HB VAL 49 HB VAL 49 0.537 -2.330 2.553 350 1HG1 VAL 49 1HG1 VAL 49 1.991 -1.087 4.928 351 2HG1 VAL 49 2HG1 VAL 49 1.779 -0.338 3.355 352 3HG1 VAL 49 3HG1 VAL 49 0.387 -0.642 4.375 353 1HG2 VAL 49 1HG2 VAL 49 3.193 -3.060 3.829 354 2HG2 VAL 49 2HG2 VAL 49 2.432 -3.919 2.511 355 3HG2 VAL 49 3HG2 VAL 49 2.991 -2.282 2.265 356 H CYS 50 H CYS 50 -1.453 -2.817 2.945 357 HA CYS 50 HA CYS 50 -3.429 -2.982 5.072 358 1HB CYS 50 1HB CYS 50 -3.790 -0.797 5.635 359 2HB CYS 50 2HB CYS 50 -2.118 -0.607 5.212 360 H GLU 51 H GLU 51 -5.562 -2.257 4.320 361 HA GLU 51 HA GLU 51 -5.854 -2.994 1.480 362 1HB GLU 51 1HB GLU 51 -7.369 -4.303 2.651 363 2HB GLU 51 2HB GLU 51 -7.558 -3.142 3.944 364 1HG GLU 51 1HG GLU 51 -9.208 -1.902 2.793 365 2HG GLU 51 2HG GLU 51 -8.814 -2.540 1.221 366 H GLY 52 H GLY 52 -6.464 -1.648 -0.041 367 1HA GLY 52 1HA GLY 52 -6.466 1.166 0.330 368 2HA GLY 52 2HA GLY 52 -6.951 0.339 -1.145 369 H GLU 53 H GLU 53 -8.380 2.579 -0.576 370 HA GLU 53 HA GLU 53 -11.064 1.762 -0.451 371 1HB GLU 53 1HB GLU 53 -10.502 1.372 2.044 372 2HB GLU 53 2HB GLU 53 -10.097 3.068 2.161 373 1HG GLU 53 1HG GLU 53 -12.463 3.639 1.483 374 2HG GLU 53 2HG GLU 53 -12.820 1.925 1.376 375 H SER 54 H SER 54 -10.303 3.105 -2.226 376 HA SER 54 HA SER 54 -9.520 5.583 -2.669 377 1HB SER 54 1HB SER 54 -11.455 5.990 -4.298 378 2HB SER 54 2HB SER 54 -10.708 4.412 -4.499 379 HG SER 54 HG SER 54 -13.078 5.103 -3.157 Start of MODEL 15 1 1H MET 1 1H MET 1 -5.665 9.777 3.730 2 2H MET 1 2H MET 1 -5.877 8.269 2.975 3 3H MET 1 3H MET 1 -4.598 9.282 2.505 4 HA MET 1 HA MET 1 -6.204 9.504 0.838 5 1HB MET 1 1HB MET 1 -8.596 10.003 1.386 6 2HB MET 1 2HB MET 1 -8.087 8.486 2.092 7 1HG MET 1 1HG MET 1 -7.720 9.574 4.261 8 2HG MET 1 2HG MET 1 -8.148 11.124 3.594 9 1HE MET 1 1HE MET 1 -10.586 11.346 2.282 10 2HE MET 1 2HE MET 1 -11.843 11.289 3.501 11 3HE MET 1 3HE MET 1 -10.365 12.174 3.843 12 H LYS 2 H LYS 2 -7.698 11.596 0.441 13 HA LYS 2 HA LYS 2 -7.628 13.798 -0.035 14 1HB LYS 2 1HB LYS 2 -8.514 13.572 2.364 15 2HB LYS 2 2HB LYS 2 -6.947 14.146 2.906 16 1HG LYS 2 1HG LYS 2 -7.199 16.191 1.575 17 2HG LYS 2 2HG LYS 2 -8.704 15.592 0.897 18 1HD LYS 2 1HD LYS 2 -9.592 15.474 3.311 19 2HD LYS 2 2HD LYS 2 -8.152 16.371 3.783 20 1HE LYS 2 1HE LYS 2 -8.730 18.108 2.082 21 2HE LYS 2 2HE LYS 2 -10.199 17.206 1.718 22 1HZ LYS 2 1HZ LYS 2 -10.922 17.496 3.992 23 2HZ LYS 2 2HZ LYS 2 -9.505 18.355 4.364 24 3HZ LYS 2 3HZ LYS 2 -10.628 19.005 3.268 25 H ALA 3 H ALA 3 -6.005 14.174 -1.367 26 HA ALA 3 HA ALA 3 -3.965 14.865 -2.220 27 1HB ALA 3 1HB ALA 3 -4.808 16.968 -1.243 28 2HB ALA 3 2HB ALA 3 -4.089 16.574 0.310 29 3HB ALA 3 3HB ALA 3 -3.061 16.905 -1.077 30 H CYS 4 H CYS 4 -3.207 12.646 -1.693 31 HA CYS 4 HA CYS 4 -1.161 12.474 0.430 32 1HB CYS 4 1HB CYS 4 -2.382 10.468 -1.453 33 2HB CYS 4 2HB CYS 4 -1.173 10.086 -0.271 34 H THR 5 H THR 5 0.646 10.750 -0.551 35 HA THR 5 HA THR 5 2.282 12.374 -2.242 36 HB THR 5 HB THR 5 2.626 9.458 -1.284 37 HG1 THR 5 HG1 THR 5 2.274 10.978 0.367 38 1HG2 THR 5 1HG2 THR 5 4.648 11.630 -1.980 39 2HG2 THR 5 2HG2 THR 5 5.009 9.977 -1.479 40 3HG2 THR 5 3HG2 THR 5 4.264 10.278 -3.046 41 H LEU 6 H LEU 6 0.370 9.515 -2.656 42 HA LEU 6 HA LEU 6 -0.596 8.533 -4.505 43 1HB LEU 6 1HB LEU 6 0.783 10.583 -6.278 44 2HB LEU 6 2HB LEU 6 -0.666 9.663 -6.607 45 HG LEU 6 HG LEU 6 -0.430 11.849 -4.482 46 1HD1 LEU 6 1HD1 LEU 6 -1.897 11.810 -7.148 47 2HD1 LEU 6 2HD1 LEU 6 -1.953 13.113 -5.972 48 3HD1 LEU 6 3HD1 LEU 6 -0.446 12.732 -6.785 49 1HD2 LEU 6 1HD2 LEU 6 -2.873 10.236 -5.367 50 2HD2 LEU 6 2HD2 LEU 6 -2.068 10.080 -3.814 51 3HD2 LEU 6 3HD2 LEU 6 -2.887 11.571 -4.225 52 H ASN 7 H ASN 7 2.813 9.416 -4.865 53 HA ASN 7 HA ASN 7 3.500 7.570 -6.808 54 1HB ASN 7 1HB ASN 7 5.188 8.841 -4.620 55 2HB ASN 7 2HB ASN 7 5.851 8.022 -6.027 56 1HD2 ASN 7 2HD2 ASN 7 4.373 10.972 -4.900 57 2HD2 ASN 7 1HD2 ASN 7 4.438 11.802 -6.379 58 H CYS 8 H CYS 8 5.416 5.996 -6.209 59 HA CYS 8 HA CYS 8 4.224 3.811 -4.701 60 1HB CYS 8 1HB CYS 8 7.078 3.482 -5.290 61 2HB CYS 8 2HB CYS 8 5.732 2.501 -5.755 62 H ASP 9 H ASP 9 4.521 3.361 -2.622 63 HA ASP 9 HA ASP 9 6.314 5.087 -1.026 64 1HB ASP 9 1HB ASP 9 3.848 4.414 -0.444 65 2HB ASP 9 2HB ASP 9 4.543 2.909 0.094 66 HA PRO 10 HA PRO 10 9.618 2.030 -0.961 67 1HB PRO 10 1HB PRO 10 10.107 2.730 1.860 68 2HB PRO 10 2HB PRO 10 11.161 2.907 0.466 69 1HG PRO 10 1HG PRO 10 9.656 4.956 1.766 70 2HG PRO 10 2HG PRO 10 10.623 5.117 0.308 71 1HD PRO 10 1HD PRO 10 7.776 5.249 0.506 72 2HD PRO 10 2HD PRO 10 8.729 5.259 -0.982 73 H ARG 11 H ARG 11 7.168 2.103 1.459 74 HA ARG 11 HA ARG 11 7.728 -0.594 2.476 75 1HB ARG 11 1HB ARG 11 5.849 -0.246 3.958 76 2HB ARG 11 2HB ARG 11 6.801 1.229 3.918 77 1HG ARG 11 1HG ARG 11 5.206 1.921 1.959 78 2HG ARG 11 2HG ARG 11 4.200 0.627 2.535 79 1HD ARG 11 1HD ARG 11 3.755 1.651 4.605 80 2HD ARG 11 2HD ARG 11 5.088 2.808 4.422 81 HE ARG 11 HE ARG 11 3.496 3.079 2.163 82 1HH1 ARG 11 1HH1 ARG 11 3.154 3.469 5.588 83 2HH1 ARG 11 2HH1 ARG 11 1.966 4.723 5.458 84 1HH2 ARG 11 1HH2 ARG 11 1.980 4.684 1.967 85 2HH2 ARG 11 2HH2 ARG 11 1.287 5.423 3.372 86 H ILE 12 H ILE 12 5.562 0.915 0.215 87 HA ILE 12 HA ILE 12 4.019 -1.559 -0.240 88 HB ILE 12 HB ILE 12 3.808 1.169 -1.577 89 1HG1 ILE 12 1HG1 ILE 12 3.222 1.414 0.771 90 2HG1 ILE 12 2HG1 ILE 12 1.780 1.526 -0.206 91 1HG2 ILE 12 1HG2 ILE 12 1.900 -1.206 -1.706 92 2HG2 ILE 12 2HG2 ILE 12 1.560 0.393 -2.348 93 3HG2 ILE 12 3HG2 ILE 12 2.853 -0.566 -3.031 94 1HD1 ILE 12 1HD1 ILE 12 1.205 -0.829 0.352 95 2HD1 ILE 12 2HD1 ILE 12 2.666 -0.942 1.324 96 3HD1 ILE 12 3HD1 ILE 12 1.381 0.153 1.796 97 H ALA 13 H ALA 13 3.973 -2.699 -2.002 98 HA ALA 13 HA ALA 13 6.138 -2.337 -4.055 99 1HB ALA 13 1HB ALA 13 4.634 -4.873 -3.202 100 2HB ALA 13 2HB ALA 13 5.907 -4.811 -4.393 101 3HB ALA 13 3HB ALA 13 6.263 -4.415 -2.726 102 H TYR 14 H TYR 14 2.983 -3.808 -3.518 103 HA TYR 14 HA TYR 14 1.625 -2.155 -5.478 104 1HB TYR 14 1HB TYR 14 1.237 -3.848 -7.216 105 2HB TYR 14 2HB TYR 14 2.959 -3.722 -6.982 106 HD1 TYR 14 HD1 TYR 14 4.180 -5.587 -5.833 107 HD2 TYR 14 HD2 TYR 14 0.013 -5.781 -6.632 108 HE1 TYR 14 HE1 TYR 14 4.210 -7.991 -5.470 109 HE2 TYR 14 HE2 TYR 14 0.020 -8.164 -6.281 110 HH TYR 14 HH TYR 14 1.660 -10.044 -6.357 111 H GLY 15 H GLY 15 -0.435 -3.845 -6.109 112 1HA GLY 15 1HA GLY 15 -1.451 -5.173 -3.726 113 2HA GLY 15 2HA GLY 15 -2.238 -3.633 -4.044 114 H VAL 16 H VAL 16 -3.763 -5.746 -3.955 115 HA VAL 16 HA VAL 16 -4.600 -6.212 -6.798 116 HB VAL 16 HB VAL 16 -4.480 -8.226 -4.496 117 1HG1 VAL 16 1HG1 VAL 16 -5.876 -8.589 -7.174 118 2HG1 VAL 16 2HG1 VAL 16 -5.631 -9.848 -5.976 119 3HG1 VAL 16 3HG1 VAL 16 -6.676 -8.490 -5.613 120 1HG2 VAL 16 1HG2 VAL 16 -2.400 -8.011 -5.836 121 2HG2 VAL 16 2HG2 VAL 16 -3.148 -9.573 -6.113 122 3HG2 VAL 16 3HG2 VAL 16 -3.308 -8.300 -7.310 123 H CYS 17 H CYS 17 -6.731 -5.865 -7.122 124 HA CYS 17 HA CYS 17 -8.362 -4.987 -4.784 125 1HB CYS 17 1HB CYS 17 -8.561 -4.351 -7.725 126 2HB CYS 17 2HB CYS 17 -9.694 -3.767 -6.545 127 HA PRO 18 HA PRO 18 -11.717 -7.961 -5.628 128 1HB PRO 18 1HB PRO 18 -13.532 -5.683 -6.147 129 2HB PRO 18 2HB PRO 18 -13.656 -6.956 -4.942 130 1HG PRO 18 1HG PRO 18 -12.867 -4.285 -4.466 131 2HG PRO 18 2HG PRO 18 -12.718 -5.622 -3.336 132 1HD PRO 18 1HD PRO 18 -10.592 -4.222 -4.727 133 2HD PRO 18 2HD PRO 18 -10.433 -5.524 -3.541 134 H ARG 19 H ARG 19 -12.611 -8.814 -7.454 135 HA ARG 19 HA ARG 19 -12.816 -9.300 -9.692 136 1HB ARG 19 1HB ARG 19 -14.034 -6.842 -9.307 137 2HB ARG 19 2HB ARG 19 -12.913 -6.413 -10.569 138 1HG ARG 19 1HG ARG 19 -14.905 -8.728 -10.708 139 2HG ARG 19 2HG ARG 19 -15.158 -7.151 -11.422 140 1HD ARG 19 1HD ARG 19 -14.373 -8.598 -13.207 141 2HD ARG 19 2HD ARG 19 -13.039 -7.526 -12.799 142 HE ARG 19 HE ARG 19 -13.088 -10.136 -11.417 143 1HH1 ARG 19 1HH1 ARG 19 -11.821 -8.212 -14.020 144 2HH1 ARG 19 2HH1 ARG 19 -10.454 -9.247 -14.252 145 1HH2 ARG 19 1HH2 ARG 19 -11.368 -11.442 -11.709 146 2HH2 ARG 19 2HH2 ARG 19 -10.193 -11.095 -12.933 147 H SER 20 H SER 20 -10.386 -9.561 -8.956 148 HA SER 20 HA SER 20 -8.755 -8.767 -11.292 149 1HB SER 20 1HB SER 20 -7.775 -8.355 -8.399 150 2HB SER 20 2HB SER 20 -6.880 -7.975 -9.876 151 HG SER 20 HG SER 20 -9.291 -6.827 -8.958 152 H GLU 21 H GLU 21 -8.958 -10.916 -11.881 153 HA GLU 21 HA GLU 21 -8.430 -13.086 -10.108 154 1HB GLU 21 1HB GLU 21 -9.922 -13.270 -12.097 155 2HB GLU 21 2HB GLU 21 -8.549 -13.024 -13.159 156 1HG GLU 21 1HG GLU 21 -7.487 -15.112 -12.237 157 2HG GLU 21 2HG GLU 21 -8.893 -15.352 -11.214 158 H GLU 22 H GLU 22 -6.464 -12.735 -9.237 159 HA GLU 22 HA GLU 22 -4.172 -12.704 -8.967 160 1HB GLU 22 1HB GLU 22 -4.903 -14.966 -10.473 161 2HB GLU 22 2HB GLU 22 -3.655 -14.287 -11.485 162 1HG GLU 22 1HG GLU 22 -3.405 -15.089 -8.556 163 2HG GLU 22 2HG GLU 22 -2.654 -15.884 -9.925 164 H LYS 23 H LYS 23 -5.161 -10.541 -10.076 165 HA LYS 23 HA LYS 23 -3.129 -9.630 -12.011 166 1HB LYS 23 1HB LYS 23 -6.103 -9.277 -11.912 167 2HB LYS 23 2HB LYS 23 -5.188 -7.882 -12.447 168 1HG LYS 23 1HG LYS 23 -4.058 -9.316 -14.173 169 2HG LYS 23 2HG LYS 23 -5.065 -10.664 -13.682 170 1HD LYS 23 1HD LYS 23 -6.022 -8.023 -14.876 171 2HD LYS 23 2HD LYS 23 -6.033 -9.581 -15.671 172 1HE LYS 23 1HE LYS 23 -7.738 -8.782 -13.266 173 2HE LYS 23 2HE LYS 23 -8.295 -9.099 -14.896 174 1HZ LYS 23 1HZ LYS 23 -7.501 -11.381 -14.674 175 2HZ LYS 23 2HZ LYS 23 -7.067 -11.063 -13.062 176 3HZ LYS 23 3HZ LYS 23 -8.696 -10.987 -13.530 177 H LYS 24 H LYS 24 -2.006 -7.821 -11.418 178 HA LYS 24 HA LYS 24 -3.052 -6.225 -9.116 179 1HB LYS 24 1HB LYS 24 -0.301 -6.121 -8.671 180 2HB LYS 24 2HB LYS 24 -1.381 -7.192 -7.838 181 1HG LYS 24 1HG LYS 24 -0.042 -8.059 -10.398 182 2HG LYS 24 2HG LYS 24 0.802 -8.135 -8.873 183 1HD LYS 24 1HD LYS 24 -1.061 -9.592 -7.966 184 2HD LYS 24 2HD LYS 24 -1.785 -9.619 -9.562 185 1HE LYS 24 1HE LYS 24 -0.384 -11.592 -9.328 186 2HE LYS 24 2HE LYS 24 0.366 -10.523 -10.495 187 1HZ LYS 24 1HZ LYS 24 1.195 -9.979 -7.814 188 2HZ LYS 24 2HZ LYS 24 1.546 -11.570 -8.293 189 3HZ LYS 24 3HZ LYS 24 2.125 -10.260 -9.206 190 H ASN 25 H ASN 25 -3.524 -5.405 -11.470 191 HA ASN 25 HA ASN 25 -3.101 -3.921 -13.211 192 1HB ASN 25 1HB ASN 25 -3.265 -2.774 -10.512 193 2HB ASN 25 2HB ASN 25 -2.492 -1.674 -11.621 194 1HD2 ASN 25 2HD2 ASN 25 -5.386 -3.759 -11.322 195 2HD2 ASN 25 1HD2 ASN 25 -6.400 -2.760 -12.247 196 H ASP 26 H ASP 26 -0.727 -5.419 -12.832 197 HA ASP 26 HA ASP 26 1.519 -5.443 -13.407 198 1HB ASP 26 1HB ASP 26 0.143 -3.710 -15.229 199 2HB ASP 26 2HB ASP 26 1.611 -2.842 -14.852 200 H ARG 27 H ARG 27 1.585 -5.019 -11.063 201 HA ARG 27 HA ARG 27 2.384 -4.074 -9.137 202 1HB ARG 27 1HB ARG 27 4.397 -4.853 -10.050 203 2HB ARG 27 2HB ARG 27 4.412 -3.619 -11.280 204 1HG ARG 27 1HG ARG 27 4.979 -1.905 -9.507 205 2HG ARG 27 2HG ARG 27 4.776 -3.125 -8.264 206 1HD ARG 27 1HD ARG 27 6.704 -4.410 -9.353 207 2HD ARG 27 2HD ARG 27 6.917 -3.035 -10.429 208 HE ARG 27 HE ARG 27 7.850 -1.815 -8.655 209 1HH1 ARG 27 1HH1 ARG 27 6.215 -4.642 -7.481 210 2HH1 ARG 27 2HH1 ARG 27 6.821 -4.455 -5.872 211 1HH2 ARG 27 1HH2 ARG 27 8.611 -1.563 -6.602 212 2HH2 ARG 27 2HH2 ARG 27 8.180 -2.695 -5.364 213 H ILE 28 H ILE 28 1.187 -2.486 -8.323 214 HA ILE 28 HA ILE 28 0.826 0.080 -9.488 215 HB ILE 28 HB ILE 28 0.351 0.048 -6.576 216 1HG1 ILE 28 1HG1 ILE 28 0.011 -2.312 -6.789 217 2HG1 ILE 28 2HG1 ILE 28 -1.519 -1.547 -6.517 218 1HG2 ILE 28 1HG2 ILE 28 -1.487 0.391 -8.957 219 2HG2 ILE 28 2HG2 ILE 28 -1.911 0.731 -7.286 220 3HG2 ILE 28 3HG2 ILE 28 -0.661 1.670 -8.082 221 1HD1 ILE 28 1HD1 ILE 28 -0.521 -2.627 -9.172 222 2HD1 ILE 28 2HD1 ILE 28 -1.725 -3.337 -8.127 223 3HD1 ILE 28 3HD1 ILE 28 -2.056 -1.805 -8.922 224 H CYS 29 H CYS 29 1.218 2.041 -8.320 225 HA CYS 29 HA CYS 29 3.773 2.236 -6.817 226 1HB CYS 29 1HB CYS 29 4.121 2.796 -9.206 227 2HB CYS 29 2HB CYS 29 2.791 3.913 -9.162 228 H THR 30 H THR 30 2.167 2.188 -5.127 229 HA THR 30 HA THR 30 0.901 4.855 -4.697 230 HB THR 30 HB THR 30 -0.835 3.125 -5.509 231 HG1 THR 30 HG1 THR 30 -0.997 4.868 -3.679 232 1HG2 THR 30 1HG2 THR 30 -0.253 1.852 -2.784 233 2HG2 THR 30 2HG2 THR 30 -1.502 1.395 -3.925 234 3HG2 THR 30 3HG2 THR 30 0.187 1.120 -4.321 235 H ASN 31 H ASN 31 0.048 4.996 -2.485 236 HA ASN 31 HA ASN 31 1.806 3.874 -0.368 237 1HB ASN 31 1HB ASN 31 1.729 6.284 0.634 238 2HB ASN 31 2HB ASN 31 2.748 6.134 -0.774 239 1HD2 ASN 31 2HD2 ASN 31 0.669 8.221 0.497 240 2HD2 ASN 31 1HD2 ASN 31 0.077 8.890 -0.947 241 H CYS 32 H CYS 32 0.734 3.644 1.619 242 HA CYS 32 HA CYS 32 -1.890 2.826 1.695 243 1HB CYS 32 1HB CYS 32 -0.177 2.654 3.550 244 2HB CYS 32 2HB CYS 32 -0.559 4.295 3.994 245 H CYS 33 H CYS 33 -0.768 6.098 2.274 246 HA CYS 33 HA CYS 33 -3.245 7.287 3.022 247 1HB CYS 33 1HB CYS 33 -1.032 8.341 3.299 248 2HB CYS 33 2HB CYS 33 -0.869 8.487 1.576 249 H ALA 34 H ALA 34 -1.648 7.142 -0.171 250 HA ALA 34 HA ALA 34 -3.794 8.390 -1.613 251 1HB ALA 34 1HB ALA 34 -1.663 6.426 -2.587 252 2HB ALA 34 2HB ALA 34 -2.649 7.445 -3.624 253 3HB ALA 34 3HB ALA 34 -1.496 8.173 -2.516 254 H GLY 35 H GLY 35 -2.773 5.043 -1.728 255 1HA GLY 35 1HA GLY 35 -3.928 3.143 -2.478 256 2HA GLY 35 2HA GLY 35 -4.584 3.399 -0.891 257 H THR 36 H THR 36 -6.324 2.206 -1.431 258 HA THR 36 HA THR 36 -8.596 3.611 -2.616 259 HB THR 36 HB THR 36 -8.084 0.849 -3.453 260 HG1 THR 36 HG1 THR 36 -7.109 3.221 -4.714 261 1HG2 THR 36 1HG2 THR 36 -9.389 3.216 -4.965 262 2HG2 THR 36 2HG2 THR 36 -9.292 1.588 -5.608 263 3HG2 THR 36 3HG2 THR 36 -10.309 1.916 -4.232 264 H LYS 37 H LYS 37 -10.496 2.031 -2.567 265 HA LYS 37 HA LYS 37 -10.727 0.836 0.129 266 1HB LYS 37 1HB LYS 37 -13.138 0.921 -1.665 267 2HB LYS 37 2HB LYS 37 -12.995 1.304 0.034 268 1HG LYS 37 1HG LYS 37 -12.038 3.539 -0.552 269 2HG LYS 37 2HG LYS 37 -12.096 3.126 -2.248 270 1HD LYS 37 1HD LYS 37 -14.010 4.516 -1.708 271 2HD LYS 37 2HD LYS 37 -14.586 2.904 -2.075 272 1HE LYS 37 1HE LYS 37 -14.789 2.408 0.359 273 2HE LYS 37 2HE LYS 37 -14.157 4.002 0.742 274 1HZ LYS 37 1HZ LYS 37 -16.631 3.446 -0.782 275 2HZ LYS 37 2HZ LYS 37 -16.551 3.934 0.843 276 3HZ LYS 37 3HZ LYS 37 -16.030 4.985 -0.386 277 H GLY 38 H GLY 38 -11.032 -1.197 0.527 278 1HA GLY 38 1HA GLY 38 -11.446 -3.470 0.236 279 2HA GLY 38 2HA GLY 38 -12.012 -3.135 -1.387 280 H CYS 39 H CYS 39 -9.247 -1.814 -1.905 281 HA CYS 39 HA CYS 39 -8.010 -4.276 -2.871 282 1HB CYS 39 1HB CYS 39 -6.910 -1.502 -2.903 283 2HB CYS 39 2HB CYS 39 -6.444 -2.814 -3.920 284 H LYS 40 H LYS 40 -6.134 -5.087 -2.247 285 HA LYS 40 HA LYS 40 -4.996 -4.291 0.403 286 1HB LYS 40 1HB LYS 40 -5.087 -6.993 -0.986 287 2HB LYS 40 2HB LYS 40 -4.103 -6.681 0.417 288 1HG LYS 40 1HG LYS 40 -6.149 -7.733 1.164 289 2HG LYS 40 2HG LYS 40 -6.115 -6.087 1.741 290 1HD LYS 40 1HD LYS 40 -8.354 -6.765 0.918 291 2HD LYS 40 2HD LYS 40 -7.734 -5.383 0.061 292 1HE LYS 40 1HE LYS 40 -8.779 -7.075 -1.478 293 2HE LYS 40 2HE LYS 40 -7.075 -6.896 -1.847 294 1HZ LYS 40 1HZ LYS 40 -8.161 -8.982 -0.051 295 2HZ LYS 40 2HZ LYS 40 -7.876 -9.211 -1.711 296 3HZ LYS 40 3HZ LYS 40 -6.581 -8.868 -0.666 297 H TYR 41 H TYR 41 -3.130 -3.227 0.249 298 HA TYR 41 HA TYR 41 -1.328 -3.757 -2.004 299 1HB TYR 41 1HB TYR 41 -1.561 -1.433 -0.055 300 2HB TYR 41 2HB TYR 41 -0.387 -1.557 -1.340 301 HD1 TYR 41 HD1 TYR 41 -1.123 -1.376 -3.737 302 HD2 TYR 41 HD2 TYR 41 -3.897 -1.090 -0.536 303 HE1 TYR 41 HE1 TYR 41 -2.818 -0.482 -5.273 304 HE2 TYR 41 HE2 TYR 41 -5.582 -0.188 -2.063 305 HH TYR 41 HH TYR 41 -6.123 0.126 -4.228 306 H PHE 42 H PHE 42 0.359 -4.913 -1.633 307 HA PHE 42 HA PHE 42 1.497 -5.198 1.082 308 1HB PHE 42 1HB PHE 42 2.279 -7.420 -0.543 309 2HB PHE 42 2HB PHE 42 1.198 -7.397 0.822 310 HD1 PHE 42 HD1 PHE 42 1.237 -6.904 -2.882 311 HD2 PHE 42 HD2 PHE 42 -1.072 -7.795 0.586 312 HE1 PHE 42 HE1 PHE 42 -0.694 -7.493 -4.294 313 HE2 PHE 42 HE2 PHE 42 -2.989 -8.382 -0.833 314 HZ PHE 42 HZ PHE 42 -2.792 -8.228 -3.275 315 H SER 43 H SER 43 3.616 -5.832 1.210 316 HA SER 43 HA SER 43 5.465 -4.138 -0.113 317 1HB SER 43 1HB SER 43 5.928 -6.581 1.663 318 2HB SER 43 2HB SER 43 7.055 -5.286 1.331 319 HG SER 43 HG SER 43 5.742 -3.834 2.324 320 H ASP 44 H ASP 44 7.584 -5.235 -0.694 321 HA ASP 44 HA ASP 44 7.113 -6.749 -3.158 322 1HB ASP 44 1HB ASP 44 9.046 -4.897 -2.326 323 2HB ASP 44 2HB ASP 44 9.943 -6.403 -2.279 324 H ASP 45 H ASP 45 8.131 -7.299 0.050 325 HA ASP 45 HA ASP 45 9.319 -9.916 -0.290 326 1HB ASP 45 1HB ASP 45 9.890 -8.496 1.640 327 2HB ASP 45 2HB ASP 45 8.212 -8.433 2.141 328 H GLY 46 H GLY 46 6.139 -8.760 -0.401 329 1HA GLY 46 1HA GLY 46 4.188 -9.861 -0.796 330 2HA GLY 46 2HA GLY 46 5.025 -11.416 -0.558 331 H THR 47 H THR 47 4.066 -8.494 1.166 332 HA THR 47 HA THR 47 2.899 -9.955 3.322 333 HB THR 47 HB THR 47 5.292 -8.077 3.685 334 HG1 THR 47 HG1 THR 47 5.932 -10.108 3.184 335 1HG2 THR 47 1HG2 THR 47 3.703 -9.641 5.821 336 2HG2 THR 47 2HG2 THR 47 5.098 -8.620 6.136 337 3HG2 THR 47 3HG2 THR 47 3.584 -7.900 5.622 338 H PHE 48 H PHE 48 1.034 -9.037 3.468 339 HA PHE 48 HA PHE 48 0.106 -6.670 2.360 340 1HB PHE 48 1HB PHE 48 -1.420 -8.367 3.132 341 2HB PHE 48 2HB PHE 48 -0.875 -8.195 4.792 342 HD1 PHE 48 HD1 PHE 48 -2.627 -6.387 2.028 343 HD2 PHE 48 HD2 PHE 48 -1.805 -6.525 6.208 344 HE1 PHE 48 HE1 PHE 48 -4.305 -4.641 2.426 345 HE2 PHE 48 HE2 PHE 48 -3.479 -4.779 6.596 346 HZ PHE 48 HZ PHE 48 -4.728 -3.833 4.714 347 H VAL 49 H VAL 49 0.492 -4.650 2.675 348 HA VAL 49 HA VAL 49 1.521 -3.694 5.311 349 HB VAL 49 HB VAL 49 1.502 -2.277 2.634 350 1HG1 VAL 49 1HG1 VAL 49 2.956 -1.621 5.244 351 2HG1 VAL 49 2HG1 VAL 49 3.153 -0.753 3.734 352 3HG1 VAL 49 3HG1 VAL 49 1.618 -0.704 4.571 353 1HG2 VAL 49 1HG2 VAL 49 3.746 -3.739 4.048 354 2HG2 VAL 49 2HG2 VAL 49 2.941 -4.256 2.573 355 3HG2 VAL 49 3HG2 VAL 49 3.904 -2.791 2.575 356 H CYS 50 H CYS 50 -0.942 -2.791 2.845 357 HA CYS 50 HA CYS 50 -2.636 -1.695 4.985 358 1HB CYS 50 1HB CYS 50 -0.991 -0.103 3.258 359 2HB CYS 50 2HB CYS 50 -2.652 0.402 3.211 360 H GLU 51 H GLU 51 -4.798 -1.341 4.221 361 HA GLU 51 HA GLU 51 -5.335 -2.714 1.621 362 1HB GLU 51 1HB GLU 51 -6.637 -3.753 3.342 363 2HB GLU 51 2HB GLU 51 -6.939 -2.243 4.174 364 1HG GLU 51 1HG GLU 51 -8.710 -1.640 2.706 365 2HG GLU 51 2HG GLU 51 -8.167 -2.712 1.429 366 H GLY 52 H GLY 52 -4.160 -0.540 1.251 367 1HA GLY 52 1HA GLY 52 -4.170 1.499 0.143 368 2HA GLY 52 2HA GLY 52 -5.820 1.087 -0.319 369 H GLU 53 H GLU 53 -6.450 3.293 -0.095 370 HA GLU 53 HA GLU 53 -6.248 4.525 2.576 371 1HB GLU 53 1HB GLU 53 -7.136 6.524 1.532 372 2HB GLU 53 2HB GLU 53 -5.902 5.842 0.513 373 1HG GLU 53 1HG GLU 53 -7.664 6.563 -0.958 374 2HG GLU 53 2HG GLU 53 -7.692 4.815 -0.930 375 H SER 54 H SER 54 -8.693 3.055 0.430 376 HA SER 54 HA SER 54 -10.928 2.629 0.821 377 1HB SER 54 1HB SER 54 -9.717 0.836 2.104 378 2HB SER 54 2HB SER 54 -9.793 1.838 3.558 379 HG SER 54 HG SER 54 -12.019 1.061 1.983 Start of MODEL 16 1 1H MET 1 1H MET 1 -4.705 9.601 5.024 2 2H MET 1 2H MET 1 -4.386 9.247 6.655 3 3H MET 1 3H MET 1 -5.986 9.252 6.083 4 HA MET 1 HA MET 1 -5.804 11.250 7.200 5 1HB MET 1 1HB MET 1 -3.853 12.801 6.838 6 2HB MET 1 2HB MET 1 -3.365 11.264 7.520 7 1HG MET 1 1HG MET 1 -2.670 10.456 5.324 8 2HG MET 1 2HG MET 1 -3.240 11.909 4.552 9 1HE MET 1 1HE MET 1 -2.398 14.210 5.111 10 2HE MET 1 2HE MET 1 -0.677 14.509 5.070 11 3HE MET 1 3HE MET 1 -1.439 13.678 3.712 12 H LYS 2 H LYS 2 -6.225 13.413 6.416 13 HA LYS 2 HA LYS 2 -7.672 13.409 3.913 14 1HB LYS 2 1HB LYS 2 -6.806 15.813 5.577 15 2HB LYS 2 2HB LYS 2 -8.110 15.777 4.414 16 1HG LYS 2 1HG LYS 2 -8.042 14.254 7.057 17 2HG LYS 2 2HG LYS 2 -8.953 15.706 6.738 18 1HD LYS 2 1HD LYS 2 -10.636 14.155 6.426 19 2HD LYS 2 2HD LYS 2 -10.041 14.249 4.783 20 1HE LYS 2 1HE LYS 2 -8.666 12.174 5.169 21 2HE LYS 2 2HE LYS 2 -9.235 12.132 6.827 22 1HZ LYS 2 1HZ LYS 2 -11.480 11.900 6.017 23 2HZ LYS 2 2HZ LYS 2 -10.932 11.964 4.411 24 3HZ LYS 2 3HZ LYS 2 -10.485 10.665 5.409 25 H ALA 3 H ALA 3 -7.005 13.910 1.961 26 HA ALA 3 HA ALA 3 -5.593 14.379 0.174 27 1HB ALA 3 1HB ALA 3 -6.052 16.699 0.941 28 2HB ALA 3 2HB ALA 3 -4.706 16.623 2.065 29 3HB ALA 3 3HB ALA 3 -4.410 16.581 0.335 30 H CYS 4 H CYS 4 -4.501 12.387 0.527 31 HA CYS 4 HA CYS 4 -2.225 11.968 2.118 32 1HB CYS 4 1HB CYS 4 -2.976 10.712 -0.530 33 2HB CYS 4 2HB CYS 4 -1.810 10.074 0.585 34 H THR 5 H THR 5 -0.061 11.412 1.300 35 HA THR 5 HA THR 5 1.225 13.686 0.181 36 HB THR 5 HB THR 5 2.263 10.824 0.682 37 HG1 THR 5 HG1 THR 5 1.937 13.177 2.236 38 1HG2 THR 5 1HG2 THR 5 3.653 13.541 0.760 39 2HG2 THR 5 2HG2 THR 5 4.401 11.970 1.049 40 3HG2 THR 5 3HG2 THR 5 3.841 12.393 -0.564 41 H LEU 6 H LEU 6 -0.103 10.844 -1.115 42 HA LEU 6 HA LEU 6 -0.616 10.172 -3.248 43 1HB LEU 6 1HB LEU 6 1.034 12.503 -4.323 44 2HB LEU 6 2HB LEU 6 -0.205 11.590 -5.152 45 HG LEU 6 HG LEU 6 -0.699 13.429 -2.766 46 1HD1 LEU 6 1HD1 LEU 6 -1.415 13.739 -5.706 47 2HD1 LEU 6 2HD1 LEU 6 -1.879 14.843 -4.420 48 3HD1 LEU 6 3HD1 LEU 6 -0.187 14.651 -4.843 49 1HD2 LEU 6 1HD2 LEU 6 -2.693 11.872 -4.482 50 2HD2 LEU 6 2HD2 LEU 6 -2.311 11.513 -2.806 51 3HD2 LEU 6 3HD2 LEU 6 -3.110 13.016 -3.217 52 H ASN 7 H ASN 7 2.758 11.241 -2.841 53 HA ASN 7 HA ASN 7 3.941 9.702 -4.775 54 1HB ASN 7 1HB ASN 7 5.032 10.469 -2.049 55 2HB ASN 7 2HB ASN 7 6.019 9.879 -3.373 56 1HD2 ASN 7 2HD2 ASN 7 3.928 12.586 -2.392 57 2HD2 ASN 7 1HD2 ASN 7 4.546 13.693 -3.521 58 H CYS 8 H CYS 8 5.153 7.856 -4.634 59 HA CYS 8 HA CYS 8 3.817 5.562 -3.559 60 1HB CYS 8 1HB CYS 8 6.610 5.167 -4.354 61 2HB CYS 8 2HB CYS 8 5.171 4.379 -4.906 62 H ASP 9 H ASP 9 4.167 4.288 -1.888 63 HA ASP 9 HA ASP 9 5.966 5.211 0.253 64 1HB ASP 9 1HB ASP 9 3.682 4.666 0.890 65 2HB ASP 9 2HB ASP 9 3.821 3.080 0.147 66 HA PRO 10 HA PRO 10 8.909 2.476 -1.633 67 1HB PRO 10 1HB PRO 10 10.779 2.489 0.520 68 2HB PRO 10 2HB PRO 10 10.773 3.539 -0.889 69 1HG PRO 10 1HG PRO 10 9.973 4.152 1.871 70 2HG PRO 10 2HG PRO 10 10.348 5.257 0.557 71 1HD PRO 10 1HD PRO 10 7.758 4.693 1.565 72 2HD PRO 10 2HD PRO 10 8.121 5.541 0.050 73 H ARG 11 H ARG 11 7.545 1.869 1.440 74 HA ARG 11 HA ARG 11 8.595 -0.831 1.794 75 1HB ARG 11 1HB ARG 11 5.997 0.159 3.040 76 2HB ARG 11 2HB ARG 11 7.109 -1.033 3.641 77 1HG ARG 11 1HG ARG 11 8.795 0.598 4.190 78 2HG ARG 11 2HG ARG 11 7.911 1.888 3.395 79 1HD ARG 11 1HD ARG 11 6.881 0.344 5.818 80 2HD ARG 11 2HD ARG 11 7.591 1.956 5.859 81 HE ARG 11 HE ARG 11 5.313 1.625 4.026 82 1HH1 ARG 11 1HH1 ARG 11 6.408 2.589 7.174 83 2HH1 ARG 11 2HH1 ARG 11 5.006 3.559 7.474 84 1HH2 ARG 11 1HH2 ARG 11 3.554 2.835 4.384 85 2HH2 ARG 11 2HH2 ARG 11 3.361 3.699 5.874 86 H ILE 12 H ILE 12 5.717 0.659 0.436 87 HA ILE 12 HA ILE 12 4.336 -1.832 -0.101 88 HB ILE 12 HB ILE 12 3.854 1.045 -0.880 89 1HG1 ILE 12 1HG1 ILE 12 2.368 -1.009 0.823 90 2HG1 ILE 12 2HG1 ILE 12 3.512 0.135 1.491 91 1HG2 ILE 12 1HG2 ILE 12 2.121 -1.386 -1.598 92 2HG2 ILE 12 2HG2 ILE 12 1.677 0.293 -1.859 93 3HG2 ILE 12 3HG2 ILE 12 2.994 -0.407 -2.765 94 1HD1 ILE 12 1HD1 ILE 12 0.935 0.821 0.057 95 2HD1 ILE 12 2HD1 ILE 12 1.241 0.905 1.784 96 3HD1 ILE 12 3HD1 ILE 12 2.097 1.982 0.696 97 H ALA 13 H ALA 13 4.146 -2.918 -1.867 98 HA ALA 13 HA ALA 13 6.018 -2.451 -4.128 99 1HB ALA 13 1HB ALA 13 4.647 -5.005 -3.195 100 2HB ALA 13 2HB ALA 13 5.768 -4.904 -4.536 101 3HB ALA 13 3HB ALA 13 6.320 -4.553 -2.914 102 H TYR 14 H TYR 14 2.885 -3.969 -3.552 103 HA TYR 14 HA TYR 14 1.638 -2.419 -5.721 104 1HB TYR 14 1HB TYR 14 0.953 -4.518 -7.001 105 2HB TYR 14 2HB TYR 14 2.670 -4.201 -7.057 106 HD1 TYR 14 HD1 TYR 14 4.249 -5.613 -5.821 107 HD2 TYR 14 HD2 TYR 14 0.077 -6.442 -5.739 108 HE1 TYR 14 HE1 TYR 14 4.713 -7.838 -4.912 109 HE2 TYR 14 HE2 TYR 14 0.544 -8.671 -4.833 110 HH TYR 14 HH TYR 14 2.790 -9.618 -3.350 111 H GLY 15 H GLY 15 -0.640 -3.471 -6.129 112 1HA GLY 15 1HA GLY 15 -1.802 -4.462 -3.607 113 2HA GLY 15 2HA GLY 15 -2.447 -2.949 -4.231 114 H VAL 16 H VAL 16 -3.866 -5.319 -3.774 115 HA VAL 16 HA VAL 16 -4.921 -5.791 -6.528 116 HB VAL 16 HB VAL 16 -3.983 -7.959 -4.620 117 1HG1 VAL 16 1HG1 VAL 16 -5.789 -8.344 -7.030 118 2HG1 VAL 16 2HG1 VAL 16 -5.020 -9.643 -6.131 119 3HG1 VAL 16 3HG1 VAL 16 -6.246 -8.654 -5.366 120 1HG2 VAL 16 1HG2 VAL 16 -3.449 -7.426 -7.566 121 2HG2 VAL 16 2HG2 VAL 16 -2.318 -7.125 -6.255 122 3HG2 VAL 16 3HG2 VAL 16 -2.792 -8.765 -6.641 123 H CYS 17 H CYS 17 -6.964 -5.644 -6.671 124 HA CYS 17 HA CYS 17 -8.710 -5.876 -4.269 125 1HB CYS 17 1HB CYS 17 -9.958 -4.477 -6.482 126 2HB CYS 17 2HB CYS 17 -9.647 -3.924 -4.869 127 HA PRO 18 HA PRO 18 -10.509 -9.382 -6.235 128 1HB PRO 18 1HB PRO 18 -13.022 -9.332 -4.971 129 2HB PRO 18 2HB PRO 18 -11.562 -10.088 -4.350 130 1HG PRO 18 1HG PRO 18 -12.846 -7.563 -3.515 131 2HG PRO 18 2HG PRO 18 -11.712 -8.575 -2.632 132 1HD PRO 18 1HD PRO 18 -11.106 -6.102 -3.899 133 2HD PRO 18 2HD PRO 18 -9.932 -7.276 -3.276 134 H ARG 19 H ARG 19 -11.749 -9.898 -7.927 135 HA ARG 19 HA ARG 19 -12.812 -9.545 -9.954 136 1HB ARG 19 1HB ARG 19 -14.863 -8.043 -8.260 137 2HB ARG 19 2HB ARG 19 -15.172 -8.966 -9.715 138 1HG ARG 19 1HG ARG 19 -14.268 -10.120 -7.034 139 2HG ARG 19 2HG ARG 19 -15.877 -10.222 -7.710 140 1HD ARG 19 1HD ARG 19 -14.965 -11.539 -9.659 141 2HD ARG 19 2HD ARG 19 -13.367 -11.465 -8.928 142 HE ARG 19 HE ARG 19 -14.017 -13.072 -7.360 143 1HH1 ARG 19 1HH1 ARG 19 -16.787 -11.804 -9.020 144 2HH1 ARG 19 2HH1 ARG 19 -17.862 -12.986 -8.355 145 1HH2 ARG 19 1HH2 ARG 19 -15.364 -14.572 -6.509 146 2HH2 ARG 19 2HH2 ARG 19 -17.048 -14.573 -6.914 147 H SER 20 H SER 20 -10.926 -7.571 -9.238 148 HA SER 20 HA SER 20 -11.606 -5.482 -11.195 149 1HB SER 20 1HB SER 20 -10.877 -4.816 -8.284 150 2HB SER 20 2HB SER 20 -11.020 -3.618 -9.581 151 HG SER 20 HG SER 20 -13.174 -4.617 -9.905 152 H GLU 21 H GLU 21 -10.051 -6.266 -12.401 153 HA GLU 21 HA GLU 21 -7.944 -6.397 -13.366 154 1HB GLU 21 1HB GLU 21 -6.752 -5.358 -10.717 155 2HB GLU 21 2HB GLU 21 -5.985 -5.388 -12.281 156 1HG GLU 21 1HG GLU 21 -8.406 -3.680 -11.548 157 2HG GLU 21 2HG GLU 21 -6.768 -3.113 -11.791 158 H GLU 22 H GLU 22 -7.402 -7.107 -9.931 159 HA GLU 22 HA GLU 22 -6.484 -8.926 -8.859 160 1HB GLU 22 1HB GLU 22 -8.867 -9.619 -10.085 161 2HB GLU 22 2HB GLU 22 -7.830 -10.880 -10.705 162 1HG GLU 22 1HG GLU 22 -7.141 -11.440 -8.363 163 2HG GLU 22 2HG GLU 22 -8.181 -10.159 -7.757 164 H LYS 23 H LYS 23 -4.467 -8.173 -9.869 165 HA LYS 23 HA LYS 23 -3.034 -10.411 -11.024 166 1HB LYS 23 1HB LYS 23 -3.803 -9.315 -13.066 167 2HB LYS 23 2HB LYS 23 -3.433 -7.729 -12.438 168 1HG LYS 23 1HG LYS 23 -1.177 -9.716 -12.784 169 2HG LYS 23 2HG LYS 23 -1.830 -8.923 -14.202 170 1HD LYS 23 1HD LYS 23 -1.378 -6.699 -13.220 171 2HD LYS 23 2HD LYS 23 -0.773 -7.417 -11.745 172 1HE LYS 23 1HE LYS 23 1.087 -6.793 -13.159 173 2HE LYS 23 2HE LYS 23 1.018 -8.541 -13.025 174 1HZ LYS 23 1HZ LYS 23 -0.322 -7.174 -15.254 175 2HZ LYS 23 2HZ LYS 23 1.350 -7.471 -15.311 176 3HZ LYS 23 3HZ LYS 23 0.262 -8.767 -15.165 177 H LYS 24 H LYS 24 -0.958 -10.434 -10.338 178 HA LYS 24 HA LYS 24 0.229 -8.011 -9.107 179 1HB LYS 24 1HB LYS 24 0.926 -9.897 -7.190 180 2HB LYS 24 2HB LYS 24 -0.363 -8.731 -7.029 181 1HG LYS 24 1HG LYS 24 -2.019 -10.395 -7.844 182 2HG LYS 24 2HG LYS 24 -0.732 -11.572 -8.035 183 1HD LYS 24 1HD LYS 24 -0.232 -11.451 -5.611 184 2HD LYS 24 2HD LYS 24 -1.460 -10.217 -5.397 185 1HE LYS 24 1HE LYS 24 -3.206 -11.827 -6.162 186 2HE LYS 24 2HE LYS 24 -1.970 -13.067 -6.349 187 1HZ LYS 24 1HZ LYS 24 -2.626 -11.671 -3.821 188 2HZ LYS 24 2HZ LYS 24 -3.129 -13.238 -4.244 189 3HZ LYS 24 3HZ LYS 24 -1.477 -12.908 -4.014 190 H ASN 25 H ASN 25 1.668 -8.006 -10.719 191 HA ASN 25 HA ASN 25 4.022 -9.657 -10.421 192 1HB ASN 25 1HB ASN 25 2.012 -10.259 -12.551 193 2HB ASN 25 2HB ASN 25 3.616 -10.007 -13.214 194 1HD2 ASN 25 2HD2 ASN 25 5.408 -11.295 -12.053 195 2HD2 ASN 25 1HD2 ASN 25 5.008 -12.855 -11.517 196 H ASP 26 H ASP 26 3.094 -6.955 -10.248 197 HA ASP 26 HA ASP 26 5.231 -5.602 -11.737 198 1HB ASP 26 1HB ASP 26 2.311 -5.339 -12.400 199 2HB ASP 26 2HB ASP 26 3.127 -3.811 -12.163 200 H ARG 27 H ARG 27 6.201 -4.728 -10.020 201 HA ARG 27 HA ARG 27 4.689 -3.968 -7.613 202 1HB ARG 27 1HB ARG 27 6.819 -5.063 -7.273 203 2HB ARG 27 2HB ARG 27 7.634 -4.002 -8.395 204 1HG ARG 27 1HG ARG 27 6.423 -2.447 -6.246 205 2HG ARG 27 2HG ARG 27 7.404 -3.718 -5.575 206 1HD ARG 27 1HD ARG 27 9.319 -2.899 -7.036 207 2HD ARG 27 2HD ARG 27 8.327 -1.519 -7.488 208 HE ARG 27 HE ARG 27 9.672 -1.897 -4.962 209 1HH1 ARG 27 1HH1 ARG 27 6.835 -0.542 -6.428 210 2HH1 ARG 27 2HH1 ARG 27 6.616 0.631 -5.173 211 1HH2 ARG 27 1HH2 ARG 27 9.412 -0.420 -3.372 212 2HH2 ARG 27 2HH2 ARG 27 8.093 0.703 -3.421 213 H ILE 28 H ILE 28 3.380 -2.376 -8.637 214 HA ILE 28 HA ILE 28 4.314 -0.113 -10.027 215 HB ILE 28 HB ILE 28 1.902 0.278 -8.330 216 1HG1 ILE 28 1HG1 ILE 28 0.638 -1.146 -10.301 217 2HG1 ILE 28 2HG1 ILE 28 2.139 -2.045 -10.292 218 1HG2 ILE 28 1HG2 ILE 28 2.435 0.585 -11.270 219 2HG2 ILE 28 2HG2 ILE 28 0.951 1.057 -10.446 220 3HG2 ILE 28 3HG2 ILE 28 2.455 1.867 -10.063 221 1HD1 ILE 28 1HD1 ILE 28 1.846 -2.415 -7.840 222 2HD1 ILE 28 2HD1 ILE 28 0.331 -1.542 -7.897 223 3HD1 ILE 28 3HD1 ILE 28 0.498 -3.062 -8.763 224 H CYS 29 H CYS 29 3.896 2.112 -9.176 225 HA CYS 29 HA CYS 29 5.354 2.514 -6.600 226 1HB CYS 29 1HB CYS 29 6.042 3.399 -9.009 227 2HB CYS 29 2HB CYS 29 4.849 4.624 -8.715 228 H THR 30 H THR 30 3.787 2.561 -5.059 229 HA THR 30 HA THR 30 1.854 4.750 -5.048 230 HB THR 30 HB THR 30 0.583 3.011 -6.369 231 HG1 THR 30 HG1 THR 30 -1.149 2.903 -4.843 232 1HG2 THR 30 1HG2 THR 30 1.696 0.945 -5.301 233 2HG2 THR 30 2HG2 THR 30 0.828 1.309 -3.817 234 3HG2 THR 30 3HG2 THR 30 -0.057 0.883 -5.270 235 H ASN 31 H ASN 31 0.581 4.785 -3.038 236 HA ASN 31 HA ASN 31 2.002 3.531 -0.736 237 1HB ASN 31 1HB ASN 31 1.579 5.677 0.525 238 2HB ASN 31 2HB ASN 31 2.661 5.917 -0.822 239 1HD2 ASN 31 2HD2 ASN 31 0.246 7.420 0.665 240 2HD2 ASN 31 1HD2 ASN 31 -0.397 8.249 -0.668 241 H CYS 32 H CYS 32 0.791 3.435 1.223 242 HA CYS 32 HA CYS 32 -1.734 2.187 0.923 243 1HB CYS 32 1HB CYS 32 -0.467 1.560 2.810 244 2HB CYS 32 2HB CYS 32 -0.206 3.212 3.310 245 H CYS 33 H CYS 33 -1.007 5.422 2.211 246 HA CYS 33 HA CYS 33 -3.653 6.144 2.908 247 1HB CYS 33 1HB CYS 33 -1.560 7.393 3.470 248 2HB CYS 33 2HB CYS 33 -1.475 7.954 1.824 249 H ALA 34 H ALA 34 -1.891 6.777 -0.099 250 HA ALA 34 HA ALA 34 -4.168 7.916 -1.485 251 1HB ALA 34 1HB ALA 34 -1.805 8.360 -2.177 252 2HB ALA 34 2HB ALA 34 -1.652 6.665 -2.637 253 3HB ALA 34 3HB ALA 34 -2.754 7.716 -3.509 254 H GLY 35 H GLY 35 -3.093 4.772 -0.802 255 1HA GLY 35 1HA GLY 35 -3.957 3.122 -2.802 256 2HA GLY 35 2HA GLY 35 -4.038 2.679 -1.107 257 H THR 36 H THR 36 -5.907 1.873 -3.134 258 HA THR 36 HA THR 36 -8.338 3.438 -2.615 259 HB THR 36 HB THR 36 -8.440 0.874 -4.169 260 HG1 THR 36 HG1 THR 36 -6.512 2.009 -4.816 261 1HG2 THR 36 1HG2 THR 36 -10.475 2.420 -4.088 262 2HG2 THR 36 2HG2 THR 36 -9.494 3.662 -4.849 263 3HG2 THR 36 3HG2 THR 36 -9.850 2.179 -5.702 264 H LYS 37 H LYS 37 -10.304 2.115 -2.364 265 HA LYS 37 HA LYS 37 -10.084 0.475 0.097 266 1HB LYS 37 1HB LYS 37 -11.809 2.030 0.428 267 2HB LYS 37 2HB LYS 37 -12.187 2.117 -1.279 268 1HG LYS 37 1HG LYS 37 -13.403 -0.041 -1.153 269 2HG LYS 37 2HG LYS 37 -12.934 -0.227 0.525 270 1HD LYS 37 1HD LYS 37 -15.241 0.609 0.394 271 2HD LYS 37 2HD LYS 37 -14.213 1.829 1.113 272 1HE LYS 37 1HE LYS 37 -15.779 2.800 -0.572 273 2HE LYS 37 2HE LYS 37 -14.113 3.054 -1.056 274 1HZ LYS 37 1HZ LYS 37 -15.716 0.748 -1.981 275 2HZ LYS 37 2HZ LYS 37 -15.666 2.230 -2.810 276 3HZ LYS 37 3HZ LYS 37 -14.246 1.320 -2.611 277 H GLY 38 H GLY 38 -10.701 -1.658 0.159 278 1HA GLY 38 1HA GLY 38 -11.589 -3.716 -0.647 279 2HA GLY 38 2HA GLY 38 -11.773 -2.999 -2.247 280 H CYS 39 H CYS 39 -9.167 -1.930 -2.478 281 HA CYS 39 HA CYS 39 -7.704 -4.252 -3.378 282 1HB CYS 39 1HB CYS 39 -6.730 -1.414 -3.059 283 2HB CYS 39 2HB CYS 39 -6.080 -2.629 -4.122 284 H LYS 40 H LYS 40 -5.715 -4.927 -2.612 285 HA LYS 40 HA LYS 40 -5.101 -4.332 0.265 286 1HB LYS 40 1HB LYS 40 -4.834 -6.979 -1.215 287 2HB LYS 40 2HB LYS 40 -4.459 -6.708 0.480 288 1HG LYS 40 1HG LYS 40 -6.820 -6.106 0.929 289 2HG LYS 40 2HG LYS 40 -7.213 -6.278 -0.772 290 1HD LYS 40 1HD LYS 40 -6.527 -8.694 -0.657 291 2HD LYS 40 2HD LYS 40 -6.254 -8.505 1.066 292 1HE LYS 40 1HE LYS 40 -8.514 -9.446 0.623 293 2HE LYS 40 2HE LYS 40 -8.649 -7.867 1.377 294 1HZ LYS 40 1HZ LYS 40 -8.623 -8.076 -1.550 295 2HZ LYS 40 2HZ LYS 40 -10.047 -8.427 -0.693 296 3HZ LYS 40 3HZ LYS 40 -9.330 -6.893 -0.559 297 H TYR 41 H TYR 41 -3.306 -3.084 0.214 298 HA TYR 41 HA TYR 41 -1.289 -3.482 -1.839 299 1HB TYR 41 1HB TYR 41 -1.653 -1.368 0.312 300 2HB TYR 41 2HB TYR 41 -0.367 -1.385 -0.861 301 HD1 TYR 41 HD1 TYR 41 -4.002 -0.989 -0.408 302 HD2 TYR 41 HD2 TYR 41 -0.803 -0.885 -3.220 303 HE1 TYR 41 HE1 TYR 41 -5.470 0.088 -2.040 304 HE2 TYR 41 HE2 TYR 41 -2.278 0.191 -4.853 305 HH TYR 41 HH TYR 41 -4.896 1.735 -4.235 306 H PHE 42 H PHE 42 0.293 -4.801 -1.530 307 HA PHE 42 HA PHE 42 1.462 -5.281 1.137 308 1HB PHE 42 1HB PHE 42 2.266 -7.285 -0.810 309 2HB PHE 42 2HB PHE 42 1.385 -7.459 0.680 310 HD1 PHE 42 HD1 PHE 42 0.775 -6.438 -2.879 311 HD2 PHE 42 HD2 PHE 42 -0.715 -8.253 0.662 312 HE1 PHE 42 HE1 PHE 42 -1.293 -7.090 -4.071 313 HE2 PHE 42 HE2 PHE 42 -2.777 -8.907 -0.518 314 HZ PHE 42 HZ PHE 42 -3.059 -8.327 -2.878 315 H SER 43 H SER 43 3.608 -5.558 1.339 316 HA SER 43 HA SER 43 5.284 -3.801 -0.101 317 1HB SER 43 1HB SER 43 5.870 -5.916 2.011 318 2HB SER 43 2HB SER 43 6.940 -4.625 1.520 319 HG SER 43 HG SER 43 5.239 -3.147 2.029 320 H ASP 44 H ASP 44 7.563 -4.648 -0.367 321 HA ASP 44 HA ASP 44 7.551 -6.401 -2.715 322 1HB ASP 44 1HB ASP 44 9.030 -4.161 -1.970 323 2HB ASP 44 2HB ASP 44 10.186 -5.446 -1.698 324 H ASP 45 H ASP 45 8.904 -6.418 0.509 325 HA ASP 45 HA ASP 45 10.365 -8.890 0.239 326 1HB ASP 45 1HB ASP 45 10.673 -8.708 2.667 327 2HB ASP 45 2HB ASP 45 10.858 -7.120 1.949 328 H GLY 46 H GLY 46 7.101 -8.441 0.164 329 1HA GLY 46 1HA GLY 46 5.420 -9.964 0.114 330 2HA GLY 46 2HA GLY 46 6.535 -11.214 0.693 331 H THR 47 H THR 47 5.049 -8.195 1.771 332 HA THR 47 HA THR 47 3.987 -9.390 4.136 333 HB THR 47 HB THR 47 6.139 -7.220 4.192 334 HG1 THR 47 HG1 THR 47 6.883 -9.308 4.185 335 1HG2 THR 47 1HG2 THR 47 4.536 -8.380 6.564 336 2HG2 THR 47 2HG2 THR 47 5.824 -7.193 6.687 337 3HG2 THR 47 3HG2 THR 47 4.292 -6.751 5.956 338 H PHE 48 H PHE 48 2.012 -8.778 3.998 339 HA PHE 48 HA PHE 48 0.903 -6.686 2.518 340 1HB PHE 48 1HB PHE 48 -0.478 -8.505 3.217 341 2HB PHE 48 2HB PHE 48 -0.116 -8.232 4.913 342 HD1 PHE 48 HD1 PHE 48 -1.655 -6.483 1.948 343 HD2 PHE 48 HD2 PHE 48 -1.565 -6.937 6.188 344 HE1 PHE 48 HE1 PHE 48 -3.581 -4.975 2.159 345 HE2 PHE 48 HE2 PHE 48 -3.484 -5.432 6.390 346 HZ PHE 48 HZ PHE 48 -4.486 -4.453 4.391 347 H VAL 49 H VAL 49 0.478 -4.630 2.809 348 HA VAL 49 HA VAL 49 1.391 -3.302 5.326 349 HB VAL 49 HB VAL 49 0.885 -2.045 2.581 350 1HG1 VAL 49 1HG1 VAL 49 2.278 -0.964 5.075 351 2HG1 VAL 49 2HG1 VAL 49 2.151 -0.125 3.542 352 3HG1 VAL 49 3HG1 VAL 49 0.710 -0.435 4.490 353 1HG2 VAL 49 1HG2 VAL 49 3.474 -2.885 3.945 354 2HG2 VAL 49 2HG2 VAL 49 2.766 -3.663 2.536 355 3HG2 VAL 49 3HG2 VAL 49 3.377 -2.024 2.421 356 H CYS 50 H CYS 50 -1.212 -2.581 2.868 357 HA CYS 50 HA CYS 50 -3.238 -2.670 4.978 358 1HB CYS 50 1HB CYS 50 -3.577 -0.481 5.488 359 2HB CYS 50 2HB CYS 50 -1.897 -0.312 5.071 360 H GLU 51 H GLU 51 -5.433 -2.150 4.110 361 HA GLU 51 HA GLU 51 -5.513 -2.664 1.223 362 1HB GLU 51 1HB GLU 51 -8.047 -2.533 2.867 363 2HB GLU 51 2HB GLU 51 -7.578 -3.658 1.622 364 1HG GLU 51 1HG GLU 51 -6.111 -4.841 3.175 365 2HG GLU 51 2HG GLU 51 -6.546 -3.720 4.466 366 H GLY 52 H GLY 52 -4.605 -0.340 1.500 367 1HA GLY 52 1HA GLY 52 -4.864 1.984 1.315 368 2HA GLY 52 2HA GLY 52 -5.829 1.476 -0.053 369 H GLU 53 H GLU 53 -7.460 2.842 -0.049 370 HA GLU 53 HA GLU 53 -9.837 2.869 0.983 371 1HB GLU 53 1HB GLU 53 -8.083 3.996 3.212 372 2HB GLU 53 2HB GLU 53 -9.670 4.685 2.986 373 1HG GLU 53 1HG GLU 53 -10.818 2.652 3.337 374 2HG GLU 53 2HG GLU 53 -9.383 1.665 3.243 375 H SER 54 H SER 54 -9.434 3.824 -1.210 376 HA SER 54 HA SER 54 -8.539 6.521 -1.507 377 1HB SER 54 1HB SER 54 -8.776 5.156 -3.517 378 2HB SER 54 2HB SER 54 -10.519 4.958 -3.245 379 HG SER 54 HG SER 54 -9.354 7.515 -3.318 Start of MODEL 17 1 1H MET 1 1H MET 1 -9.819 12.127 7.019 2 2H MET 1 2H MET 1 -8.855 12.149 8.418 3 3H MET 1 3H MET 1 -9.351 13.609 7.704 4 HA MET 1 HA MET 1 -7.092 13.249 7.165 5 1HB MET 1 1HB MET 1 -7.882 10.503 7.105 6 2HB MET 1 2HB MET 1 -7.399 10.861 5.462 7 1HG MET 1 1HG MET 1 -5.762 11.344 7.961 8 2HG MET 1 2HG MET 1 -5.496 10.084 6.790 9 1HE MET 1 1HE MET 1 -5.406 11.002 4.064 10 2HE MET 1 2HE MET 1 -3.810 11.696 3.857 11 3HE MET 1 3HE MET 1 -3.983 10.226 4.802 12 H LYS 2 H LYS 2 -6.679 14.572 5.551 13 HA LYS 2 HA LYS 2 -8.553 15.304 3.592 14 1HB LYS 2 1HB LYS 2 -6.692 16.710 4.559 15 2HB LYS 2 2HB LYS 2 -5.532 15.736 3.685 16 1HG LYS 2 1HG LYS 2 -5.974 17.835 2.504 17 2HG LYS 2 2HG LYS 2 -6.498 16.481 1.529 18 1HD LYS 2 1HD LYS 2 -8.854 16.847 2.267 19 2HD LYS 2 2HD LYS 2 -8.329 18.122 3.353 20 1HE LYS 2 1HE LYS 2 -9.216 19.048 1.296 21 2HE LYS 2 2HE LYS 2 -7.483 19.377 1.400 22 1HZ LYS 2 1HZ LYS 2 -8.333 16.935 0.041 23 2HZ LYS 2 2HZ LYS 2 -8.573 18.408 -0.769 24 3HZ LYS 2 3HZ LYS 2 -7.013 17.952 -0.277 25 H ALA 3 H ALA 3 -8.260 15.237 1.265 26 HA ALA 3 HA ALA 3 -8.306 12.793 0.111 27 1HB ALA 3 1HB ALA 3 -8.996 14.855 -1.032 28 2HB ALA 3 2HB ALA 3 -7.322 15.375 -1.154 29 3HB ALA 3 3HB ALA 3 -7.875 13.972 -2.057 30 H CYS 4 H CYS 4 -6.889 11.306 -0.716 31 HA CYS 4 HA CYS 4 -4.204 11.243 0.186 32 1HB CYS 4 1HB CYS 4 -5.333 9.705 -2.138 33 2HB CYS 4 2HB CYS 4 -4.002 9.268 -1.121 34 H THR 5 H THR 5 -2.281 11.119 -1.053 35 HA THR 5 HA THR 5 -2.074 13.199 -3.099 36 HB THR 5 HB THR 5 0.252 11.535 -1.941 37 HG1 THR 5 HG1 THR 5 -1.391 13.530 -0.769 38 1HG2 THR 5 1HG2 THR 5 -0.198 14.519 -2.417 39 2HG2 THR 5 2HG2 THR 5 1.327 13.748 -1.994 40 3HG2 THR 5 3HG2 THR 5 0.625 13.500 -3.589 41 H LEU 6 H LEU 6 0.132 12.096 -4.472 42 HA LEU 6 HA LEU 6 -0.943 9.669 -5.836 43 1HB LEU 6 1HB LEU 6 0.195 12.170 -7.169 44 2HB LEU 6 2HB LEU 6 -0.284 10.717 -8.021 45 HG LEU 6 HG LEU 6 -2.203 12.445 -6.374 46 1HD1 LEU 6 1HD1 LEU 6 -1.813 12.257 -9.395 47 2HD1 LEU 6 2HD1 LEU 6 -3.059 13.192 -8.583 48 3HD1 LEU 6 3HD1 LEU 6 -1.372 13.632 -8.396 49 1HD2 LEU 6 1HD2 LEU 6 -2.733 10.159 -8.339 50 2HD2 LEU 6 2HD2 LEU 6 -2.918 10.040 -6.598 51 3HD2 LEU 6 3HD2 LEU 6 -3.961 11.104 -7.515 52 H ASN 7 H ASN 7 1.423 10.748 -4.002 53 HA ASN 7 HA ASN 7 3.811 10.259 -5.293 54 1HB ASN 7 1HB ASN 7 3.195 9.814 -2.336 55 2HB ASN 7 2HB ASN 7 4.778 10.106 -3.026 56 1HD2 ASN 7 2HD2 ASN 7 3.592 12.199 -4.943 57 2HD2 ASN 7 1HD2 ASN 7 3.351 13.557 -3.954 58 H CYS 8 H CYS 8 5.308 8.492 -4.163 59 HA CYS 8 HA CYS 8 4.117 5.775 -4.734 60 1HB CYS 8 1HB CYS 8 6.876 6.957 -4.917 61 2HB CYS 8 2HB CYS 8 6.656 5.265 -4.787 62 H ASP 9 H ASP 9 4.708 4.240 -3.154 63 HA ASP 9 HA ASP 9 5.672 5.320 -0.525 64 1HB ASP 9 1HB ASP 9 3.275 4.908 -0.733 65 2HB ASP 9 2HB ASP 9 3.564 3.189 -0.930 66 HA PRO 10 HA PRO 10 8.762 2.392 -1.822 67 1HB PRO 10 1HB PRO 10 10.449 2.703 0.437 68 2HB PRO 10 2HB PRO 10 10.529 3.603 -1.069 69 1HG PRO 10 1HG PRO 10 9.463 4.450 1.547 70 2HG PRO 10 2HG PRO 10 10.004 5.438 0.198 71 1HD PRO 10 1HD PRO 10 7.317 5.000 0.935 72 2HD PRO 10 2HD PRO 10 7.858 5.650 -0.624 73 H ARG 11 H ARG 11 7.248 2.179 1.258 74 HA ARG 11 HA ARG 11 8.247 -0.473 1.945 75 1HB ARG 11 1HB ARG 11 6.726 -0.393 3.800 76 2HB ARG 11 2HB ARG 11 7.366 1.231 3.609 77 1HG ARG 11 1HG ARG 11 5.340 1.711 2.135 78 2HG ARG 11 2HG ARG 11 4.709 0.167 2.659 79 1HD ARG 11 1HD ARG 11 4.674 0.885 4.991 80 2HD ARG 11 2HD ARG 11 5.318 2.472 4.516 81 HE ARG 11 HE ARG 11 3.194 1.856 2.805 82 1HH1 ARG 11 1HH1 ARG 11 3.724 2.539 6.157 83 2HH1 ARG 11 2HH1 ARG 11 2.154 3.226 6.402 84 1HH2 ARG 11 1HH2 ARG 11 1.181 2.730 3.082 85 2HH2 ARG 11 2HH2 ARG 11 0.683 3.335 4.627 86 H ILE 12 H ILE 12 5.606 0.842 0.137 87 HA ILE 12 HA ILE 12 4.188 -1.728 -0.114 88 HB ILE 12 HB ILE 12 3.621 0.960 -1.390 89 1HG1 ILE 12 1HG1 ILE 12 2.541 -0.541 1.038 90 2HG1 ILE 12 2HG1 ILE 12 3.408 0.984 1.047 91 1HG2 ILE 12 1HG2 ILE 12 2.717 -0.985 -2.732 92 2HG2 ILE 12 2HG2 ILE 12 1.946 -1.616 -1.287 93 3HG2 ILE 12 3HG2 ILE 12 1.420 -0.093 -1.988 94 1HD1 ILE 12 1HD1 ILE 12 1.563 2.035 -0.195 95 2HD1 ILE 12 2HD1 ILE 12 0.674 0.512 -0.135 96 3HD1 ILE 12 3HD1 ILE 12 1.056 1.358 1.355 97 H ALA 13 H ALA 13 4.193 -2.948 -1.832 98 HA ALA 13 HA ALA 13 6.187 -2.468 -4.002 99 1HB ALA 13 1HB ALA 13 4.691 -5.010 -3.188 100 2HB ALA 13 2HB ALA 13 5.931 -4.915 -4.419 101 3HB ALA 13 3HB ALA 13 6.339 -4.589 -2.750 102 H TYR 14 H TYR 14 2.981 -3.822 -3.474 103 HA TYR 14 HA TYR 14 1.716 -2.206 -5.522 104 1HB TYR 14 1HB TYR 14 1.172 -4.158 -7.048 105 2HB TYR 14 2HB TYR 14 2.872 -3.761 -6.978 106 HD1 TYR 14 HD1 TYR 14 4.452 -5.236 -5.868 107 HD2 TYR 14 HD2 TYR 14 0.326 -6.240 -6.062 108 HE1 TYR 14 HE1 TYR 14 4.994 -7.513 -5.245 109 HE2 TYR 14 HE2 TYR 14 0.857 -8.529 -5.436 110 HH TYR 14 HH TYR 14 3.001 -9.621 -4.036 111 H GLY 15 H GLY 15 -0.398 -3.787 -6.123 112 1HA GLY 15 1HA GLY 15 -1.502 -5.038 -3.771 113 2HA GLY 15 2HA GLY 15 -2.158 -3.425 -4.023 114 H VAL 16 H VAL 16 -3.758 -5.520 -3.958 115 HA VAL 16 HA VAL 16 -4.704 -5.804 -6.786 116 HB VAL 16 HB VAL 16 -5.011 -7.950 -4.625 117 1HG1 VAL 16 1HG1 VAL 16 -5.352 -7.951 -7.664 118 2HG1 VAL 16 2HG1 VAL 16 -5.605 -9.349 -6.629 119 3HG1 VAL 16 3HG1 VAL 16 -6.682 -7.969 -6.522 120 1HG2 VAL 16 1HG2 VAL 16 -2.586 -7.643 -5.293 121 2HG2 VAL 16 2HG2 VAL 16 -3.219 -9.173 -5.864 122 3HG2 VAL 16 3HG2 VAL 16 -3.039 -7.823 -6.971 123 H CYS 17 H CYS 17 -6.598 -5.045 -7.124 124 HA CYS 17 HA CYS 17 -8.493 -4.548 -4.869 125 1HB CYS 17 1HB CYS 17 -8.329 -3.101 -7.519 126 2HB CYS 17 2HB CYS 17 -9.283 -2.631 -6.150 127 HA PRO 18 HA PRO 18 -11.769 -6.594 -7.331 128 1HB PRO 18 1HB PRO 18 -13.590 -4.351 -6.963 129 2HB PRO 18 2HB PRO 18 -13.691 -5.964 -6.277 130 1HG PRO 18 1HG PRO 18 -12.991 -3.549 -4.916 131 2HG PRO 18 2HG PRO 18 -12.999 -5.175 -4.254 132 1HD PRO 18 1HD PRO 18 -10.703 -3.527 -4.921 133 2HD PRO 18 2HD PRO 18 -10.705 -5.130 -4.171 134 H ARG 19 H ARG 19 -12.509 -6.323 -9.447 135 HA ARG 19 HA ARG 19 -12.363 -5.592 -11.661 136 1HB ARG 19 1HB ARG 19 -12.430 -2.764 -10.506 137 2HB ARG 19 2HB ARG 19 -13.038 -3.301 -12.059 138 1HG ARG 19 1HG ARG 19 -14.794 -4.645 -10.935 139 2HG ARG 19 2HG ARG 19 -14.188 -4.154 -9.360 140 1HD ARG 19 1HD ARG 19 -14.621 -1.788 -9.909 141 2HD ARG 19 2HD ARG 19 -15.241 -2.268 -11.493 142 HE ARG 19 HE ARG 19 -16.659 -3.740 -9.523 143 1HH1 ARG 19 1HH1 ARG 19 -16.234 -0.478 -10.607 144 2HH1 ARG 19 2HH1 ARG 19 -17.819 0.014 -10.114 145 1HH2 ARG 19 1HH2 ARG 19 -18.671 -3.141 -8.890 146 2HH2 ARG 19 2HH2 ARG 19 -19.221 -1.515 -9.127 147 H SER 20 H SER 20 -10.038 -6.171 -10.369 148 HA SER 20 HA SER 20 -8.002 -4.973 -12.028 149 1HB SER 20 1HB SER 20 -7.806 -4.691 -8.956 150 2HB SER 20 2HB SER 20 -6.540 -4.252 -10.106 151 HG SER 20 HG SER 20 -8.201 -2.889 -11.098 152 H GLU 21 H GLU 21 -7.288 -6.812 -12.684 153 HA GLU 21 HA GLU 21 -7.498 -9.290 -11.285 154 1HB GLU 21 1HB GLU 21 -5.976 -8.553 -13.824 155 2HB GLU 21 2HB GLU 21 -6.229 -10.203 -13.275 156 1HG GLU 21 1HG GLU 21 -8.700 -9.871 -13.414 157 2HG GLU 21 2HG GLU 21 -8.451 -8.221 -13.962 158 H GLU 22 H GLU 22 -4.376 -9.153 -12.719 159 HA GLU 22 HA GLU 22 -2.237 -9.231 -11.835 160 1HB GLU 22 1HB GLU 22 -3.344 -6.940 -10.733 161 2HB GLU 22 2HB GLU 22 -2.878 -7.792 -9.280 162 1HG GLU 22 1HG GLU 22 -0.554 -8.070 -10.289 163 2HG GLU 22 2HG GLU 22 -1.066 -7.030 -11.610 164 H LYS 23 H LYS 23 -1.547 -11.149 -11.151 165 HA LYS 23 HA LYS 23 -2.892 -12.708 -9.157 166 1HB LYS 23 1HB LYS 23 -0.353 -12.910 -10.773 167 2HB LYS 23 2HB LYS 23 -0.385 -13.882 -9.325 168 1HG LYS 23 1HG LYS 23 -2.485 -13.961 -11.534 169 2HG LYS 23 2HG LYS 23 -1.188 -15.116 -11.357 170 1HD LYS 23 1HD LYS 23 -3.477 -14.682 -9.366 171 2HD LYS 23 2HD LYS 23 -3.285 -16.037 -10.450 172 1HE LYS 23 1HE LYS 23 -1.397 -15.358 -8.150 173 2HE LYS 23 2HE LYS 23 -2.551 -16.678 -8.202 174 1HZ LYS 23 1HZ LYS 23 -1.347 -17.456 -10.233 175 2HZ LYS 23 2HZ LYS 23 -0.132 -16.333 -9.853 176 3HZ LYS 23 3HZ LYS 23 -0.499 -17.588 -8.768 177 H LYS 24 H LYS 24 0.522 -11.938 -8.923 178 HA LYS 24 HA LYS 24 0.522 -10.105 -6.779 179 1HB LYS 24 1HB LYS 24 -0.509 -11.996 -5.430 180 2HB LYS 24 2HB LYS 24 0.775 -13.070 -5.944 181 1HG LYS 24 1HG LYS 24 2.420 -11.714 -4.663 182 2HG LYS 24 2HG LYS 24 1.157 -10.561 -4.257 183 1HD LYS 24 1HD LYS 24 -0.062 -12.412 -3.065 184 2HD LYS 24 2HD LYS 24 1.278 -13.488 -3.424 185 1HE LYS 24 1HE LYS 24 1.465 -10.909 -1.798 186 2HE LYS 24 2HE LYS 24 1.525 -12.540 -1.147 187 1HZ LYS 24 1HZ LYS 24 3.495 -12.887 -2.637 188 2HZ LYS 24 2HZ LYS 24 3.497 -11.207 -2.890 189 3HZ LYS 24 3HZ LYS 24 3.723 -11.829 -1.326 190 H ASN 25 H ASN 25 1.831 -9.945 -8.898 191 HA ASN 25 HA ASN 25 4.623 -10.237 -8.243 192 1HB ASN 25 1HB ASN 25 3.411 -12.489 -9.541 193 2HB ASN 25 2HB ASN 25 4.328 -11.708 -10.806 194 1HD2 ASN 25 2HD2 ASN 25 4.566 -13.353 -7.706 195 2HD2 ASN 25 1HD2 ASN 25 6.254 -13.540 -7.728 196 H ASP 26 H ASP 26 3.575 -8.007 -8.600 197 HA ASP 26 HA ASP 26 4.750 -6.871 -11.033 198 1HB ASP 26 1HB ASP 26 2.607 -7.231 -12.056 199 2HB ASP 26 2HB ASP 26 1.747 -7.011 -10.547 200 H ARG 27 H ARG 27 6.005 -5.457 -9.918 201 HA ARG 27 HA ARG 27 5.027 -4.138 -7.493 202 1HB ARG 27 1HB ARG 27 7.185 -5.130 -7.280 203 2HB ARG 27 2HB ARG 27 7.735 -4.476 -8.800 204 1HG ARG 27 1HG ARG 27 7.003 -2.290 -6.979 205 2HG ARG 27 2HG ARG 27 8.115 -3.369 -6.192 206 1HD ARG 27 1HD ARG 27 9.526 -1.767 -7.240 207 2HD ARG 27 2HD ARG 27 9.601 -3.157 -8.299 208 HE ARG 27 HE ARG 27 8.398 -1.977 -9.943 209 1HH1 ARG 27 1HH1 ARG 27 8.489 -0.237 -6.939 210 2HH1 ARG 27 2HH1 ARG 27 7.890 1.226 -7.644 211 1HH2 ARG 27 1HH2 ARG 27 7.635 -0.140 -10.844 212 2HH2 ARG 27 2HH2 ARG 27 7.397 1.284 -9.886 213 H ILE 28 H ILE 28 3.833 -2.643 -7.899 214 HA ILE 28 HA ILE 28 4.065 -0.652 -9.970 215 HB ILE 28 HB ILE 28 2.111 -0.612 -7.684 216 1HG1 ILE 28 1HG1 ILE 28 1.602 -2.238 -10.236 217 2HG1 ILE 28 2HG1 ILE 28 2.262 -3.048 -8.847 218 1HG2 ILE 28 1HG2 ILE 28 1.866 0.029 -10.630 219 2HG2 ILE 28 2HG2 ILE 28 0.572 0.210 -9.449 220 3HG2 ILE 28 3HG2 ILE 28 1.994 1.215 -9.341 221 1HD1 ILE 28 1HD1 ILE 28 0.282 -2.307 -7.500 222 2HD1 ILE 28 2HD1 ILE 28 -0.422 -1.624 -8.955 223 3HD1 ILE 28 3HD1 ILE 28 -0.125 -3.350 -8.843 224 H CYS 29 H CYS 29 3.416 1.685 -8.652 225 HA CYS 29 HA CYS 29 5.127 2.068 -6.283 226 1HB CYS 29 1HB CYS 29 6.431 2.244 -8.460 227 2HB CYS 29 2HB CYS 29 5.435 3.593 -8.868 228 H THR 30 H THR 30 3.272 2.563 -5.214 229 HA THR 30 HA THR 30 2.043 5.190 -5.726 230 HB THR 30 HB THR 30 0.638 3.607 -7.090 231 HG1 THR 30 HG1 THR 30 -0.199 5.285 -5.426 232 1HG2 THR 30 1HG2 THR 30 0.156 2.196 -4.413 233 2HG2 THR 30 2HG2 THR 30 -0.623 1.799 -5.939 234 3HG2 THR 30 3HG2 THR 30 1.095 1.513 -5.727 235 H ASN 31 H ASN 31 0.068 5.177 -3.854 236 HA ASN 31 HA ASN 31 1.488 4.502 -1.321 237 1HB ASN 31 1HB ASN 31 -0.609 6.675 -1.699 238 2HB ASN 31 2HB ASN 31 0.436 6.469 -0.312 239 1HD2 ASN 31 2HD2 ASN 31 0.040 8.628 -2.468 240 2HD2 ASN 31 1HD2 ASN 31 1.638 9.023 -2.869 241 H CYS 32 H CYS 32 0.123 4.228 0.560 242 HA CYS 32 HA CYS 32 -1.778 2.117 0.192 243 1HB CYS 32 1HB CYS 32 -0.648 2.181 2.309 244 2HB CYS 32 2HB CYS 32 -1.058 3.858 2.574 245 H CYS 33 H CYS 33 -2.178 5.417 1.326 246 HA CYS 33 HA CYS 33 -4.995 5.529 1.439 247 1HB CYS 33 1HB CYS 33 -3.344 7.165 2.375 248 2HB CYS 33 2HB CYS 33 -3.060 7.761 0.769 249 H ALA 34 H ALA 34 -2.768 6.427 -1.131 250 HA ALA 34 HA ALA 34 -4.566 7.357 -3.080 251 1HB ALA 34 1HB ALA 34 -2.110 7.561 -3.282 252 2HB ALA 34 2HB ALA 34 -1.967 5.822 -3.489 253 3HB ALA 34 3HB ALA 34 -2.767 6.791 -4.716 254 H GLY 35 H GLY 35 -3.741 4.068 -2.213 255 1HA GLY 35 1HA GLY 35 -4.655 2.648 -4.379 256 2HA GLY 35 2HA GLY 35 -4.724 2.039 -2.729 257 H THR 36 H THR 36 -6.712 1.424 -4.698 258 HA THR 36 HA THR 36 -8.991 3.180 -4.195 259 HB THR 36 HB THR 36 -9.442 0.473 -5.402 260 HG1 THR 36 HG1 THR 36 -7.437 1.224 -6.275 261 1HG2 THR 36 1HG2 THR 36 -10.148 3.316 -6.312 262 2HG2 THR 36 2HG2 THR 36 -10.759 1.831 -7.020 263 3HG2 THR 36 3HG2 THR 36 -11.243 2.292 -5.401 264 H LYS 37 H LYS 37 -11.096 1.999 -3.641 265 HA LYS 37 HA LYS 37 -10.845 0.998 -0.930 266 1HB LYS 37 1HB LYS 37 -13.470 0.740 -2.356 267 2HB LYS 37 2HB LYS 37 -13.140 1.324 -0.739 268 1HG LYS 37 1HG LYS 37 -12.190 3.440 -1.743 269 2HG LYS 37 2HG LYS 37 -12.650 2.872 -3.335 270 1HD LYS 37 1HD LYS 37 -14.594 3.348 -1.043 271 2HD LYS 37 2HD LYS 37 -14.326 4.444 -2.381 272 1HE LYS 37 1HE LYS 37 -15.429 1.604 -2.620 273 2HE LYS 37 2HE LYS 37 -16.334 3.094 -2.811 274 1HZ LYS 37 1HZ LYS 37 -14.723 3.653 -4.630 275 2HZ LYS 37 2HZ LYS 37 -14.200 2.039 -4.549 276 3HZ LYS 37 3HZ LYS 37 -15.814 2.390 -4.948 277 H GLY 38 H GLY 38 -11.224 -0.970 -0.103 278 1HA GLY 38 1HA GLY 38 -11.587 -3.280 0.010 279 2HA GLY 38 2HA GLY 38 -12.161 -3.247 -1.648 280 H CYS 39 H CYS 39 -9.240 -1.771 -1.786 281 HA CYS 39 HA CYS 39 -7.945 -3.983 -3.061 282 1HB CYS 39 1HB CYS 39 -6.768 -1.389 -2.080 283 2HB CYS 39 2HB CYS 39 -6.066 -2.467 -3.244 284 H LYS 40 H LYS 40 -5.610 -4.397 -2.555 285 HA LYS 40 HA LYS 40 -5.031 -4.768 0.337 286 1HB LYS 40 1HB LYS 40 -4.984 -7.024 -1.745 287 2HB LYS 40 2HB LYS 40 -4.390 -7.154 -0.099 288 1HG LYS 40 1HG LYS 40 -6.709 -6.641 0.745 289 2HG LYS 40 2HG LYS 40 -7.276 -6.565 -0.912 290 1HD LYS 40 1HD LYS 40 -7.817 -8.760 -0.044 291 2HD LYS 40 2HD LYS 40 -6.565 -8.944 -1.253 292 1HE LYS 40 1HE LYS 40 -4.839 -9.122 0.537 293 2HE LYS 40 2HE LYS 40 -6.077 -8.873 1.761 294 1HZ LYS 40 1HZ LYS 40 -7.172 -10.879 0.983 295 2HZ LYS 40 2HZ LYS 40 -5.946 -11.115 -0.168 296 3HZ LYS 40 3HZ LYS 40 -5.582 -11.189 1.489 297 H TYR 41 H TYR 41 -3.381 -3.304 0.187 298 HA TYR 41 HA TYR 41 -1.363 -3.579 -1.918 299 1HB TYR 41 1HB TYR 41 -2.131 -1.472 0.115 300 2HB TYR 41 2HB TYR 41 -0.551 -1.418 -0.627 301 HD1 TYR 41 HD1 TYR 41 -3.653 -2.591 -2.420 302 HD2 TYR 41 HD2 TYR 41 -0.871 0.602 -1.893 303 HE1 TYR 41 HE1 TYR 41 -4.549 -1.485 -4.381 304 HE2 TYR 41 HE2 TYR 41 -1.802 1.702 -3.868 305 HH TYR 41 HH TYR 41 -3.292 1.622 -5.506 306 H PHE 42 H PHE 42 0.314 -4.823 -1.595 307 HA PHE 42 HA PHE 42 1.448 -5.179 1.117 308 1HB PHE 42 1HB PHE 42 2.230 -7.397 -0.467 309 2HB PHE 42 2HB PHE 42 1.107 -7.354 0.855 310 HD1 PHE 42 HD1 PHE 42 1.132 -6.644 -2.839 311 HD2 PHE 42 HD2 PHE 42 -1.000 -8.070 0.557 312 HE1 PHE 42 HE1 PHE 42 -0.739 -7.329 -4.283 313 HE2 PHE 42 HE2 PHE 42 -2.867 -8.755 -0.884 314 HZ PHE 42 HZ PHE 42 -2.739 -8.387 -3.297 315 H SER 43 H SER 43 3.561 -5.698 1.296 316 HA SER 43 HA SER 43 5.412 -4.092 -0.151 317 1HB SER 43 1HB SER 43 5.864 -6.313 1.886 318 2HB SER 43 2HB SER 43 6.960 -5.019 1.442 319 HG SER 43 HG SER 43 5.178 -3.571 2.017 320 H ASP 44 H ASP 44 7.554 -5.252 -0.576 321 HA ASP 44 HA ASP 44 7.071 -7.113 -2.816 322 1HB ASP 44 1HB ASP 44 8.823 -4.983 -2.488 323 2HB ASP 44 2HB ASP 44 9.893 -6.346 -2.230 324 H ASP 45 H ASP 45 8.578 -7.107 0.310 325 HA ASP 45 HA ASP 45 9.921 -9.657 0.042 326 1HB ASP 45 1HB ASP 45 10.267 -9.445 2.490 327 2HB ASP 45 2HB ASP 45 10.618 -7.925 1.690 328 H GLY 46 H GLY 46 6.686 -8.966 0.121 329 1HA GLY 46 1HA GLY 46 4.917 -10.390 0.117 330 2HA GLY 46 2HA GLY 46 5.952 -11.691 0.725 331 H THR 47 H THR 47 4.660 -8.547 1.722 332 HA THR 47 HA THR 47 3.564 -9.613 4.130 333 HB THR 47 HB THR 47 5.835 -7.571 4.107 334 HG1 THR 47 HG1 THR 47 5.358 -10.154 5.158 335 1HG2 THR 47 1HG2 THR 47 4.190 -8.563 6.526 336 2HG2 THR 47 2HG2 THR 47 5.552 -7.456 6.606 337 3HG2 THR 47 3HG2 THR 47 4.045 -6.939 5.873 338 H PHE 48 H PHE 48 1.646 -8.859 4.134 339 HA PHE 48 HA PHE 48 0.548 -6.778 2.606 340 1HB PHE 48 1HB PHE 48 -0.756 -8.596 3.612 341 2HB PHE 48 2HB PHE 48 -0.407 -7.994 5.220 342 HD1 PHE 48 HD1 PHE 48 -1.488 -5.965 6.059 343 HD2 PHE 48 HD2 PHE 48 -2.401 -7.432 2.161 344 HE1 PHE 48 HE1 PHE 48 -3.471 -4.530 5.983 345 HE2 PHE 48 HE2 PHE 48 -4.384 -5.992 2.093 346 HZ PHE 48 HZ PHE 48 -4.920 -4.537 4.005 347 H VAL 49 H VAL 49 0.422 -4.679 2.768 348 HA VAL 49 HA VAL 49 1.557 -3.332 5.186 349 HB VAL 49 HB VAL 49 1.013 -2.183 2.400 350 1HG1 VAL 49 1HG1 VAL 49 2.536 -1.022 4.783 351 2HG1 VAL 49 2HG1 VAL 49 2.393 -0.273 3.204 352 3HG1 VAL 49 3HG1 VAL 49 0.975 -0.458 4.212 353 1HG2 VAL 49 1HG2 VAL 49 3.618 -3.040 3.714 354 2HG2 VAL 49 2HG2 VAL 49 2.819 -3.884 2.398 355 3HG2 VAL 49 3HG2 VAL 49 3.477 -2.279 2.136 356 H CYS 50 H CYS 50 -1.178 -2.862 2.836 357 HA CYS 50 HA CYS 50 -3.044 -2.419 5.017 358 1HB CYS 50 1HB CYS 50 -3.246 -0.123 5.000 359 2HB CYS 50 2HB CYS 50 -1.590 -0.152 4.455 360 H GLU 51 H GLU 51 -4.975 -1.259 3.884 361 HA GLU 51 HA GLU 51 -5.519 -2.661 1.296 362 1HB GLU 51 1HB GLU 51 -7.043 -3.687 2.832 363 2HB GLU 51 2HB GLU 51 -7.193 -2.244 3.814 364 1HG GLU 51 1HG GLU 51 -8.750 -1.235 2.364 365 2HG GLU 51 2HG GLU 51 -8.309 -2.185 0.972 366 H GLY 52 H GLY 52 -6.097 -1.271 -0.300 367 1HA GLY 52 1HA GLY 52 -5.626 1.494 -0.137 368 2HA GLY 52 2HA GLY 52 -6.538 0.744 -1.424 369 H GLU 53 H GLU 53 -7.374 3.163 -0.893 370 HA GLU 53 HA GLU 53 -10.034 2.871 0.233 371 1HB GLU 53 1HB GLU 53 -9.669 4.698 1.977 372 2HB GLU 53 2HB GLU 53 -8.805 3.215 2.325 373 1HG GLU 53 1HG GLU 53 -6.728 4.183 1.301 374 2HG GLU 53 2HG GLU 53 -7.578 5.683 0.986 375 H SER 54 H SER 54 -9.509 3.367 -2.223 376 HA SER 54 HA SER 54 -10.300 4.702 -3.976 377 1HB SER 54 1HB SER 54 -11.905 5.826 -2.359 378 2HB SER 54 2HB SER 54 -10.655 7.025 -1.992 379 HG SER 54 HG SER 54 -11.467 6.355 -4.609 Start of MODEL 18 1 1H MET 1 1H MET 1 -6.532 4.276 -11.256 2 2H MET 1 2H MET 1 -7.587 3.606 -12.407 3 3H MET 1 3H MET 1 -6.964 5.171 -12.633 4 HA MET 1 HA MET 1 -9.195 5.370 -11.920 5 1HB MET 1 1HB MET 1 -8.554 3.045 -10.378 6 2HB MET 1 2HB MET 1 -8.911 4.284 -9.195 7 1HG MET 1 1HG MET 1 -10.671 3.406 -11.494 8 2HG MET 1 2HG MET 1 -10.940 3.083 -9.804 9 1HE MET 1 1HE MET 1 -10.788 5.345 -8.134 10 2HE MET 1 2HE MET 1 -12.239 6.301 -8.331 11 3HE MET 1 3HE MET 1 -12.376 4.550 -8.238 12 H LYS 2 H LYS 2 -9.897 6.934 -10.334 13 HA LYS 2 HA LYS 2 -7.835 8.859 -9.737 14 1HB LYS 2 1HB LYS 2 -10.226 9.391 -10.312 15 2HB LYS 2 2HB LYS 2 -10.723 8.772 -8.748 16 1HG LYS 2 1HG LYS 2 -9.361 10.470 -7.585 17 2HG LYS 2 2HG LYS 2 -8.701 11.034 -9.108 18 1HD LYS 2 1HD LYS 2 -11.665 11.147 -8.398 19 2HD LYS 2 2HD LYS 2 -10.556 12.486 -8.186 20 1HE LYS 2 1HE LYS 2 -10.057 12.435 -10.656 21 2HE LYS 2 2HE LYS 2 -11.252 11.160 -10.852 22 1HZ LYS 2 1HZ LYS 2 -11.975 13.690 -9.550 23 2HZ LYS 2 2HZ LYS 2 -11.951 13.554 -11.242 24 3HZ LYS 2 3HZ LYS 2 -12.973 12.556 -10.325 25 H ALA 3 H ALA 3 -6.864 9.323 -7.876 26 HA ALA 3 HA ALA 3 -7.490 8.634 -5.272 27 1HB ALA 3 1HB ALA 3 -5.423 6.781 -6.582 28 2HB ALA 3 2HB ALA 3 -5.777 6.813 -4.862 29 3HB ALA 3 3HB ALA 3 -6.986 6.247 -5.992 30 H CYS 4 H CYS 4 -5.411 8.674 -3.954 31 HA CYS 4 HA CYS 4 -4.305 11.112 -3.745 32 1HB CYS 4 1HB CYS 4 -3.462 8.414 -2.983 33 2HB CYS 4 2HB CYS 4 -2.155 9.535 -2.935 34 H THR 5 H THR 5 -1.733 11.385 -3.663 35 HA THR 5 HA THR 5 -0.900 12.462 -6.056 36 HB THR 5 HB THR 5 1.054 11.347 -3.960 37 HG1 THR 5 HG1 THR 5 -0.683 12.336 -2.930 38 1HG2 THR 5 1HG2 THR 5 1.907 12.756 -5.979 39 2HG2 THR 5 2HG2 THR 5 0.838 14.031 -5.427 40 3HG2 THR 5 3HG2 THR 5 2.168 13.498 -4.407 41 H LEU 6 H LEU 6 -1.087 9.168 -5.480 42 HA LEU 6 HA LEU 6 -0.598 7.297 -6.723 43 1HB LEU 6 1HB LEU 6 0.670 9.129 -8.814 44 2HB LEU 6 2HB LEU 6 0.056 7.512 -9.043 45 HG LEU 6 HG LEU 6 -1.662 9.938 -8.367 46 1HD1 LEU 6 1HD1 LEU 6 -0.765 9.991 -10.667 47 2HD1 LEU 6 2HD1 LEU 6 -1.367 8.365 -10.952 48 3HD1 LEU 6 3HD1 LEU 6 -2.493 9.686 -10.681 49 1HD2 LEU 6 1HD2 LEU 6 -2.477 7.069 -9.053 50 2HD2 LEU 6 2HD2 LEU 6 -2.623 7.797 -7.461 51 3HD2 LEU 6 3HD2 LEU 6 -3.581 8.411 -8.793 52 H ASN 7 H ASN 7 1.666 9.278 -5.412 53 HA ASN 7 HA ASN 7 4.100 8.419 -6.316 54 1HB ASN 7 1HB ASN 7 3.228 9.281 -3.534 55 2HB ASN 7 2HB ASN 7 4.915 9.101 -3.991 56 1HD2 ASN 7 2HD2 ASN 7 4.586 11.556 -3.276 57 2HD2 ASN 7 1HD2 ASN 7 4.301 12.637 -4.554 58 H CYS 8 H CYS 8 5.675 7.235 -5.028 59 HA CYS 8 HA CYS 8 4.639 4.535 -4.337 60 1HB CYS 8 1HB CYS 8 7.536 4.846 -4.586 61 2HB CYS 8 2HB CYS 8 6.459 3.690 -5.311 62 H ASP 9 H ASP 9 4.744 3.818 -2.328 63 HA ASP 9 HA ASP 9 5.913 5.541 -0.248 64 1HB ASP 9 1HB ASP 9 3.685 4.481 0.077 65 2HB ASP 9 2HB ASP 9 4.425 2.908 -0.084 66 HA PRO 10 HA PRO 10 9.837 3.689 -0.555 67 1HB PRO 10 1HB PRO 10 10.404 3.654 2.293 68 2HB PRO 10 2HB PRO 10 11.011 4.738 1.053 69 1HG PRO 10 1HG PRO 10 8.964 5.244 3.040 70 2HG PRO 10 2HG PRO 10 9.677 6.373 1.898 71 1HD PRO 10 1HD PRO 10 7.037 5.332 1.807 72 2HD PRO 10 2HD PRO 10 7.841 6.255 0.531 73 H ARG 11 H ARG 11 7.484 1.954 1.226 74 HA ARG 11 HA ARG 11 9.177 -0.484 0.993 75 1HB ARG 11 1HB ARG 11 8.088 -1.207 3.206 76 2HB ARG 11 2HB ARG 11 9.295 0.046 3.283 77 1HG ARG 11 1HG ARG 11 7.476 0.677 4.744 78 2HG ARG 11 2HG ARG 11 7.502 1.790 3.404 79 1HD ARG 11 1HD ARG 11 5.168 1.010 3.960 80 2HD ARG 11 2HD ARG 11 5.626 0.548 2.330 81 HE ARG 11 HE ARG 11 5.667 -1.674 2.974 82 1HH1 ARG 11 1HH1 ARG 11 5.588 0.405 5.748 83 2HH1 ARG 11 2HH1 ARG 11 5.346 -0.891 6.870 84 1HH2 ARG 11 1HH2 ARG 11 5.361 -3.358 4.417 85 2HH2 ARG 11 2HH2 ARG 11 5.216 -3.035 6.111 86 H ILE 12 H ILE 12 6.426 0.901 -0.108 87 HA ILE 12 HA ILE 12 4.713 -1.505 -0.080 88 HB ILE 12 HB ILE 12 4.445 1.247 -1.359 89 1HG1 ILE 12 1HG1 ILE 12 4.016 1.132 1.107 90 2HG1 ILE 12 2HG1 ILE 12 2.614 1.646 0.200 91 1HG2 ILE 12 1HG2 ILE 12 2.445 -1.035 -1.630 92 2HG2 ILE 12 2HG2 ILE 12 2.127 0.635 -2.070 93 3HG2 ILE 12 3HG2 ILE 12 3.352 -0.278 -2.924 94 1HD1 ILE 12 1HD1 ILE 12 3.084 -1.164 1.237 95 2HD1 ILE 12 2HD1 ILE 12 1.998 0.032 1.931 96 3HD1 ILE 12 3HD1 ILE 12 1.665 -0.635 0.345 97 H ALA 13 H ALA 13 4.257 -2.755 -1.872 98 HA ALA 13 HA ALA 13 6.197 -2.544 -4.144 99 1HB ALA 13 1HB ALA 13 4.705 -4.974 -3.088 100 2HB ALA 13 2HB ALA 13 5.838 -4.973 -4.427 101 3HB ALA 13 3HB ALA 13 6.399 -4.596 -2.810 102 H TYR 14 H TYR 14 2.958 -3.820 -3.471 103 HA TYR 14 HA TYR 14 1.745 -2.253 -5.599 104 1HB TYR 14 1HB TYR 14 1.240 -4.070 -7.173 105 2HB TYR 14 2HB TYR 14 2.969 -4.052 -6.896 106 HD1 TYR 14 HD1 TYR 14 3.924 -5.686 -5.147 107 HD2 TYR 14 HD2 TYR 14 0.026 -6.071 -6.806 108 HE1 TYR 14 HE1 TYR 14 3.882 -8.033 -4.490 109 HE2 TYR 14 HE2 TYR 14 -0.015 -8.423 -6.154 110 HH TYR 14 HH TYR 14 1.209 -9.831 -4.253 111 H GLY 15 H GLY 15 -0.429 -3.721 -6.192 112 1HA GLY 15 1HA GLY 15 -1.669 -4.828 -3.807 113 2HA GLY 15 2HA GLY 15 -2.287 -3.238 -4.234 114 H VAL 16 H VAL 16 -3.745 -5.603 -4.128 115 HA VAL 16 HA VAL 16 -4.705 -5.821 -6.941 116 HB VAL 16 HB VAL 16 -4.595 -8.162 -5.003 117 1HG1 VAL 16 1HG1 VAL 16 -5.043 -8.021 -8.045 118 2HG1 VAL 16 2HG1 VAL 16 -5.018 -9.495 -7.089 119 3HG1 VAL 16 3HG1 VAL 16 -6.302 -8.329 -6.859 120 1HG2 VAL 16 1HG2 VAL 16 -2.714 -7.509 -7.314 121 2HG2 VAL 16 2HG2 VAL 16 -2.279 -7.475 -5.616 122 3HG2 VAL 16 3HG2 VAL 16 -2.693 -8.997 -6.377 123 H CYS 17 H CYS 17 -6.882 -6.061 -7.211 124 HA CYS 17 HA CYS 17 -8.627 -5.898 -4.780 125 1HB CYS 17 1HB CYS 17 -8.093 -3.792 -6.571 126 2HB CYS 17 2HB CYS 17 -9.599 -4.440 -7.156 127 HA PRO 18 HA PRO 18 -11.135 -9.098 -6.335 128 1HB PRO 18 1HB PRO 18 -13.472 -7.385 -6.993 129 2HB PRO 18 2HB PRO 18 -13.366 -8.769 -5.908 130 1HG PRO 18 1HG PRO 18 -13.488 -6.149 -5.054 131 2HG PRO 18 2HG PRO 18 -12.775 -7.449 -4.108 132 1HD PRO 18 1HD PRO 18 -11.434 -5.232 -5.533 133 2HD PRO 18 2HD PRO 18 -10.793 -6.256 -4.232 134 H ARG 19 H ARG 19 -11.646 -10.198 -8.175 135 HA ARG 19 HA ARG 19 -11.581 -10.750 -10.428 136 1HB ARG 19 1HB ARG 19 -12.997 -8.065 -10.364 137 2HB ARG 19 2HB ARG 19 -12.419 -8.579 -11.927 138 1HG ARG 19 1HG ARG 19 -14.720 -9.343 -11.581 139 2HG ARG 19 2HG ARG 19 -13.639 -10.711 -11.718 140 1HD ARG 19 1HD ARG 19 -15.250 -11.064 -9.884 141 2HD ARG 19 2HD ARG 19 -13.631 -10.936 -9.208 142 HE ARG 19 HE ARG 19 -14.698 -8.330 -9.213 143 1HH1 ARG 19 1HH1 ARG 19 -15.399 -11.428 -7.826 144 2HH1 ARG 19 2HH1 ARG 19 -16.151 -10.755 -6.419 145 1HH2 ARG 19 1HH2 ARG 19 -15.648 -7.456 -7.437 146 2HH2 ARG 19 2HH2 ARG 19 -16.295 -8.475 -6.194 147 H SER 20 H SER 20 -9.341 -9.701 -9.100 148 HA SER 20 HA SER 20 -7.187 -8.971 -9.353 149 1HB SER 20 1HB SER 20 -6.078 -9.833 -11.466 150 2HB SER 20 2HB SER 20 -7.116 -11.042 -10.710 151 HG SER 20 HG SER 20 -7.668 -9.392 -12.932 152 H GLU 21 H GLU 21 -7.289 -6.810 -9.130 153 HA GLU 21 HA GLU 21 -7.309 -5.154 -11.535 154 1HB GLU 21 1HB GLU 21 -7.739 -4.254 -8.662 155 2HB GLU 21 2HB GLU 21 -7.996 -3.280 -10.093 156 1HG GLU 21 1HG GLU 21 -9.598 -5.703 -9.232 157 2HG GLU 21 2HG GLU 21 -10.171 -4.048 -9.275 158 H GLU 22 H GLU 22 -5.635 -3.855 -11.855 159 HA GLU 22 HA GLU 22 -3.476 -2.992 -11.824 160 1HB GLU 22 1HB GLU 22 -4.122 -1.952 -9.681 161 2HB GLU 22 2HB GLU 22 -3.797 -3.424 -8.793 162 1HG GLU 22 1HG GLU 22 -1.413 -3.294 -9.313 163 2HG GLU 22 2HG GLU 22 -1.672 -1.874 -10.315 164 H LYS 23 H LYS 23 -1.361 -3.717 -11.970 165 HA LYS 23 HA LYS 23 -0.903 -6.432 -12.446 166 1HB LYS 23 1HB LYS 23 0.828 -4.026 -12.061 167 2HB LYS 23 2HB LYS 23 1.657 -5.568 -11.931 168 1HG LYS 23 1HG LYS 23 0.597 -6.246 -14.138 169 2HG LYS 23 2HG LYS 23 -0.016 -4.616 -14.290 170 1HD LYS 23 1HD LYS 23 2.920 -5.421 -14.164 171 2HD LYS 23 2HD LYS 23 2.056 -4.931 -15.595 172 1HE LYS 23 1HE LYS 23 3.287 -2.996 -14.909 173 2HE LYS 23 2HE LYS 23 1.626 -2.677 -14.437 174 1HZ LYS 23 1HZ LYS 23 2.958 -4.027 -12.357 175 2HZ LYS 23 2HZ LYS 23 3.875 -2.685 -12.836 176 3HZ LYS 23 3HZ LYS 23 2.259 -2.480 -12.355 177 H LYS 24 H LYS 24 0.232 -8.028 -11.495 178 HA LYS 24 HA LYS 24 0.980 -7.914 -8.648 179 1HB LYS 24 1HB LYS 24 -0.475 -10.314 -8.651 180 2HB LYS 24 2HB LYS 24 -1.085 -8.810 -8.034 181 1HG LYS 24 1HG LYS 24 -2.189 -8.272 -10.155 182 2HG LYS 24 2HG LYS 24 -1.507 -9.695 -10.912 183 1HD LYS 24 1HD LYS 24 -3.289 -9.912 -8.469 184 2HD LYS 24 2HD LYS 24 -3.987 -9.757 -10.065 185 1HE LYS 24 1HE LYS 24 -3.893 -12.121 -9.578 186 2HE LYS 24 2HE LYS 24 -2.619 -11.817 -10.742 187 1HZ LYS 24 1HZ LYS 24 -1.876 -11.601 -7.944 188 2HZ LYS 24 2HZ LYS 24 -2.247 -13.155 -8.517 189 3HZ LYS 24 3HZ LYS 24 -1.018 -12.248 -9.260 190 H ASN 25 H ASN 25 2.632 -7.908 -10.533 191 HA ASN 25 HA ASN 25 4.288 -10.198 -10.281 192 1HB ASN 25 1HB ASN 25 2.365 -10.153 -12.577 193 2HB ASN 25 2HB ASN 25 4.019 -10.379 -13.084 194 1HD2 ASN 25 2HD2 ASN 25 5.216 -12.099 -11.481 195 2HD2 ASN 25 1HD2 ASN 25 4.318 -13.519 -11.232 196 H ASP 26 H ASP 26 4.261 -7.372 -10.000 197 HA ASP 26 HA ASP 26 6.741 -6.648 -11.238 198 1HB ASP 26 1HB ASP 26 4.159 -5.753 -12.459 199 2HB ASP 26 2HB ASP 26 5.247 -4.430 -12.101 200 H ARG 27 H ARG 27 7.659 -5.452 -9.768 201 HA ARG 27 HA ARG 27 6.237 -4.539 -7.383 202 1HB ARG 27 1HB ARG 27 8.560 -5.317 -7.101 203 2HB ARG 27 2HB ARG 27 9.136 -4.221 -8.344 204 1HG ARG 27 1HG ARG 27 8.575 -2.260 -6.923 205 2HG ARG 27 2HG ARG 27 7.872 -3.317 -5.719 206 1HD ARG 27 1HD ARG 27 10.304 -4.425 -5.710 207 2HD ARG 27 2HD ARG 27 10.781 -2.906 -6.440 208 HE ARG 27 HE ARG 27 9.991 -3.291 -3.685 209 1HH1 ARG 27 1HH1 ARG 27 9.990 -1.031 -6.312 210 2HH1 ARG 27 2HH1 ARG 27 9.931 0.351 -5.271 211 1HH2 ARG 27 1HH2 ARG 27 9.917 -1.566 -2.351 212 2HH2 ARG 27 2HH2 ARG 27 9.890 0.045 -2.990 213 H ILE 28 H ILE 28 4.766 -3.159 -8.288 214 HA ILE 28 HA ILE 28 5.329 -1.019 -10.062 215 HB ILE 28 HB ILE 28 3.023 -0.748 -8.181 216 1HG1 ILE 28 1HG1 ILE 28 3.084 -2.892 -10.420 217 2HG1 ILE 28 2HG1 ILE 28 3.078 -3.311 -8.732 218 1HG2 ILE 28 1HG2 ILE 28 3.324 0.772 -10.097 219 2HG2 ILE 28 2HG2 ILE 28 3.330 -0.601 -11.188 220 3HG2 ILE 28 3HG2 ILE 28 1.872 -0.166 -10.308 221 1HD1 ILE 28 1HD1 ILE 28 0.905 -2.274 -8.391 222 2HD1 ILE 28 2HD1 ILE 28 0.801 -1.900 -10.105 223 3HD1 ILE 28 3HD1 ILE 28 0.864 -3.567 -9.576 224 H CYS 29 H CYS 29 4.701 1.281 -9.276 225 HA CYS 29 HA CYS 29 6.207 1.941 -6.775 226 1HB CYS 29 1HB CYS 29 7.036 2.482 -9.252 227 2HB CYS 29 2HB CYS 29 5.894 3.781 -9.156 228 H THR 30 H THR 30 4.191 1.638 -5.727 229 HA THR 30 HA THR 30 2.333 3.965 -5.935 230 HB THR 30 HB THR 30 1.270 2.029 -7.112 231 HG1 THR 30 HG1 THR 30 0.192 2.323 -4.510 232 1HG2 THR 30 1HG2 THR 30 2.478 0.176 -5.807 233 2HG2 THR 30 2HG2 THR 30 1.502 0.588 -4.406 234 3HG2 THR 30 3HG2 THR 30 0.741 -0.045 -5.856 235 H ASN 31 H ASN 31 0.809 3.977 -3.940 236 HA ASN 31 HA ASN 31 2.290 3.153 -1.484 237 1HB ASN 31 1HB ASN 31 1.803 5.435 -0.512 238 2HB ASN 31 2HB ASN 31 2.750 5.565 -1.970 239 1HD2 ASN 31 2HD2 ASN 31 2.079 7.357 -3.060 240 2HD2 ASN 31 1HD2 ASN 31 0.464 7.861 -3.176 241 H CYS 32 H CYS 32 0.619 3.786 0.451 242 HA CYS 32 HA CYS 32 -1.481 1.889 0.206 243 1HB CYS 32 1HB CYS 32 -0.499 2.440 2.355 244 2HB CYS 32 2HB CYS 32 -1.072 4.089 2.246 245 H CYS 33 H CYS 33 -1.870 5.437 0.526 246 HA CYS 33 HA CYS 33 -4.691 5.400 0.079 247 1HB CYS 33 1HB CYS 33 -3.632 7.279 1.153 248 2HB CYS 33 2HB CYS 33 -2.648 7.575 -0.259 249 H ALA 34 H ALA 34 -2.121 5.210 -2.148 250 HA ALA 34 HA ALA 34 -3.341 6.324 -4.499 251 1HB ALA 34 1HB ALA 34 -1.368 4.003 -4.262 252 2HB ALA 34 2HB ALA 34 -1.685 4.906 -5.736 253 3HB ALA 34 3HB ALA 34 -0.902 5.692 -4.373 254 H GLY 35 H GLY 35 -3.365 3.271 -2.898 255 1HA GLY 35 1HA GLY 35 -4.864 1.744 -4.712 256 2HA GLY 35 2HA GLY 35 -4.697 1.385 -2.996 257 H THR 36 H THR 36 -7.120 0.766 -3.831 258 HA THR 36 HA THR 36 -8.827 3.012 -2.905 259 HB THR 36 HB THR 36 -9.977 1.046 -4.912 260 HG1 THR 36 HG1 THR 36 -9.119 2.463 -6.526 261 1HG2 THR 36 1HG2 THR 36 -11.375 3.002 -3.939 262 2HG2 THR 36 2HG2 THR 36 -10.205 4.096 -4.653 263 3HG2 THR 36 3HG2 THR 36 -11.184 3.066 -5.677 264 H LYS 37 H LYS 37 -11.113 2.042 -2.487 265 HA LYS 37 HA LYS 37 -10.973 0.394 -0.186 266 1HB LYS 37 1HB LYS 37 -13.558 0.408 -1.685 267 2HB LYS 37 2HB LYS 37 -13.255 0.662 0.019 268 1HG LYS 37 1HG LYS 37 -12.272 2.953 -0.613 269 2HG LYS 37 2HG LYS 37 -12.864 2.676 -2.239 270 1HD LYS 37 1HD LYS 37 -14.602 2.702 0.260 271 2HD LYS 37 2HD LYS 37 -14.453 4.027 -0.873 272 1HE LYS 37 1HE LYS 37 -15.372 2.569 -2.692 273 2HE LYS 37 2HE LYS 37 -15.560 1.258 -1.533 274 1HZ LYS 37 1HZ LYS 37 -16.842 3.912 -1.310 275 2HZ LYS 37 2HZ LYS 37 -17.598 2.493 -1.856 276 3HZ LYS 37 3HZ LYS 37 -17.049 2.600 -0.252 277 H GLY 38 H GLY 38 -11.306 -1.649 0.266 278 1HA GLY 38 1HA GLY 38 -11.720 -3.939 -0.018 279 2HA GLY 38 2HA GLY 38 -12.232 -3.625 -1.668 280 H CYS 39 H CYS 39 -9.511 -2.158 -2.005 281 HA CYS 39 HA CYS 39 -8.094 -4.494 -3.002 282 1HB CYS 39 1HB CYS 39 -7.048 -1.693 -2.892 283 2HB CYS 39 2HB CYS 39 -6.656 -2.955 -4.011 284 H LYS 40 H LYS 40 -6.180 -5.239 -2.345 285 HA LYS 40 HA LYS 40 -5.190 -4.446 0.359 286 1HB LYS 40 1HB LYS 40 -5.123 -7.108 -1.110 287 2HB LYS 40 2HB LYS 40 -4.131 -6.800 0.295 288 1HG LYS 40 1HG LYS 40 -6.126 -7.990 0.978 289 2HG LYS 40 2HG LYS 40 -6.155 -6.384 1.664 290 1HD LYS 40 1HD LYS 40 -7.800 -5.626 0.053 291 2HD LYS 40 2HD LYS 40 -7.655 -7.097 -0.897 292 1HE LYS 40 1HE LYS 40 -8.662 -6.915 1.982 293 2HE LYS 40 2HE LYS 40 -9.684 -7.105 0.564 294 1HZ LYS 40 1HZ LYS 40 -8.270 -9.159 0.113 295 2HZ LYS 40 2HZ LYS 40 -7.775 -9.019 1.731 296 3HZ LYS 40 3HZ LYS 40 -9.418 -9.238 1.363 297 H TYR 41 H TYR 41 -3.313 -3.428 0.371 298 HA TYR 41 HA TYR 41 -1.453 -3.724 -1.907 299 1HB TYR 41 1HB TYR 41 -2.256 -1.424 -0.120 300 2HB TYR 41 2HB TYR 41 -0.638 -1.438 -0.785 301 HD1 TYR 41 HD1 TYR 41 -4.213 -1.974 -1.851 302 HD2 TYR 41 HD2 TYR 41 -0.343 -0.586 -2.984 303 HE1 TYR 41 HE1 TYR 41 -5.098 -1.235 -4.012 304 HE2 TYR 41 HE2 TYR 41 -1.248 0.150 -5.138 305 HH TYR 41 HH TYR 41 -3.548 -0.774 -6.573 306 H PHE 42 H PHE 42 0.288 -4.719 -1.549 307 HA PHE 42 HA PHE 42 1.403 -5.065 1.163 308 1HB PHE 42 1HB PHE 42 2.257 -7.224 -0.513 309 2HB PHE 42 2HB PHE 42 1.173 -7.263 0.848 310 HD1 PHE 42 HD1 PHE 42 1.098 -6.374 -2.790 311 HD2 PHE 42 HD2 PHE 42 -0.999 -8.027 0.532 312 HE1 PHE 42 HE1 PHE 42 -0.783 -6.944 -4.247 313 HE2 PHE 42 HE2 PHE 42 -2.878 -8.601 -0.941 314 HZ PHE 42 HZ PHE 42 -2.769 -8.058 -3.343 315 H SER 43 H SER 43 3.529 -5.436 1.397 316 HA SER 43 HA SER 43 5.319 -3.745 -0.076 317 1HB SER 43 1HB SER 43 5.538 -5.686 2.217 318 2HB SER 43 2HB SER 43 6.925 -4.823 1.615 319 HG SER 43 HG SER 43 6.220 -3.268 2.825 320 H ASP 44 H ASP 44 7.534 -4.869 -0.176 321 HA ASP 44 HA ASP 44 7.348 -6.755 -2.440 322 1HB ASP 44 1HB ASP 44 8.980 -4.565 -1.955 323 2HB ASP 44 2HB ASP 44 10.065 -5.884 -1.560 324 H ASP 45 H ASP 45 8.324 -6.819 0.865 325 HA ASP 45 HA ASP 45 9.893 -9.253 0.726 326 1HB ASP 45 1HB ASP 45 9.858 -9.182 3.151 327 2HB ASP 45 2HB ASP 45 9.978 -7.519 2.607 328 H GLY 46 H GLY 46 6.653 -8.668 0.282 329 1HA GLY 46 1HA GLY 46 4.953 -10.100 -0.182 330 2HA GLY 46 2HA GLY 46 5.936 -11.460 0.399 331 H THR 47 H THR 47 4.435 -8.473 1.621 332 HA THR 47 HA THR 47 3.052 -9.869 3.686 333 HB THR 47 HB THR 47 5.162 -7.742 4.273 334 HG1 THR 47 HG1 THR 47 6.111 -9.682 4.030 335 1HG2 THR 47 1HG2 THR 47 3.428 -9.374 6.237 336 2HG2 THR 47 2HG2 THR 47 4.651 -8.198 6.696 337 3HG2 THR 47 3HG2 THR 47 3.173 -7.665 5.917 338 H PHE 48 H PHE 48 1.171 -8.975 4.001 339 HA PHE 48 HA PHE 48 0.186 -6.775 2.474 340 1HB PHE 48 1HB PHE 48 -1.328 -8.503 3.174 341 2HB PHE 48 2HB PHE 48 -0.898 -8.301 4.862 342 HD1 PHE 48 HD1 PHE 48 -2.555 -6.559 1.988 343 HD2 PHE 48 HD2 PHE 48 -2.030 -6.729 6.216 344 HE1 PHE 48 HE1 PHE 48 -4.359 -4.921 2.291 345 HE2 PHE 48 HE2 PHE 48 -3.831 -5.094 6.507 346 HZ PHE 48 HZ PHE 48 -4.998 -4.193 4.554 347 H VAL 49 H VAL 49 0.274 -4.672 2.798 348 HA VAL 49 HA VAL 49 1.233 -3.662 5.444 349 HB VAL 49 HB VAL 49 1.086 -2.173 2.801 350 1HG1 VAL 49 1HG1 VAL 49 2.572 -1.575 5.405 351 2HG1 VAL 49 2HG1 VAL 49 2.684 -0.618 3.940 352 3HG1 VAL 49 3HG1 VAL 49 1.170 -0.699 4.817 353 1HG2 VAL 49 1HG2 VAL 49 3.402 -3.622 4.106 354 2HG2 VAL 49 2HG2 VAL 49 2.605 -4.091 2.619 355 3HG2 VAL 49 3HG2 VAL 49 3.495 -2.583 2.687 356 H CYS 50 H CYS 50 -1.181 -2.709 2.925 357 HA CYS 50 HA CYS 50 -3.063 -2.043 5.095 358 1HB CYS 50 1HB CYS 50 -3.122 0.247 4.868 359 2HB CYS 50 2HB CYS 50 -1.474 0.053 4.320 360 H GLU 51 H GLU 51 -5.165 -1.738 4.353 361 HA GLU 51 HA GLU 51 -5.630 -2.845 1.620 362 1HB GLU 51 1HB GLU 51 -6.926 -4.135 3.200 363 2HB GLU 51 2HB GLU 51 -7.291 -2.733 4.187 364 1HG GLU 51 1HG GLU 51 -8.892 -1.891 2.548 365 2HG GLU 51 2HG GLU 51 -8.399 -3.068 1.354 366 H GLY 52 H GLY 52 -5.930 -1.272 0.164 367 1HA GLY 52 1HA GLY 52 -6.057 1.475 0.603 368 2HA GLY 52 2HA GLY 52 -6.673 0.700 -0.850 369 H GLU 53 H GLU 53 -7.769 2.998 0.337 370 HA GLU 53 HA GLU 53 -10.567 2.242 0.574 371 1HB GLU 53 1HB GLU 53 -9.573 1.939 2.950 372 2HB GLU 53 2HB GLU 53 -9.232 3.659 2.946 373 1HG GLU 53 1HG GLU 53 -11.643 4.168 2.675 374 2HG GLU 53 2HG GLU 53 -12.011 2.455 2.545 375 H SER 54 H SER 54 -9.606 3.340 -1.329 376 HA SER 54 HA SER 54 -9.937 5.082 -2.831 377 1HB SER 54 1HB SER 54 -10.767 6.841 -0.432 378 2HB SER 54 2HB SER 54 -11.016 7.188 -2.138 379 HG SER 54 HG SER 54 -11.986 4.933 -2.106 Start of MODEL 19 1 1H MET 1 1H MET 1 -11.352 16.228 -6.640 2 2H MET 1 2H MET 1 -12.919 16.879 -6.583 3 3H MET 1 3H MET 1 -11.734 17.419 -5.492 4 HA MET 1 HA MET 1 -13.125 15.983 -4.290 5 1HB MET 1 1HB MET 1 -13.578 13.649 -5.116 6 2HB MET 1 2HB MET 1 -14.194 14.861 -6.215 7 1HG MET 1 1HG MET 1 -12.224 14.609 -7.657 8 2HG MET 1 2HG MET 1 -11.520 13.455 -6.562 9 1HE MET 1 1HE MET 1 -13.090 11.264 -5.833 10 2HE MET 1 2HE MET 1 -13.167 10.196 -7.219 11 3HE MET 1 3HE MET 1 -11.650 10.998 -6.845 12 H LYS 2 H LYS 2 -10.409 16.725 -4.426 13 HA LYS 2 HA LYS 2 -8.355 16.289 -3.454 14 1HB LYS 2 1HB LYS 2 -9.942 14.073 -2.044 15 2HB LYS 2 2HB LYS 2 -8.309 14.514 -1.640 16 1HG LYS 2 1HG LYS 2 -9.698 15.654 -0.067 17 2HG LYS 2 2HG LYS 2 -9.055 16.860 -1.153 18 1HD LYS 2 1HD LYS 2 -11.400 17.325 -0.694 19 2HD LYS 2 2HD LYS 2 -11.251 16.924 -2.380 20 1HE LYS 2 1HE LYS 2 -12.001 14.547 -1.796 21 2HE LYS 2 2HE LYS 2 -12.199 15.079 -0.135 22 1HZ LYS 2 1HZ LYS 2 -13.587 16.937 -1.431 23 2HZ LYS 2 2HZ LYS 2 -13.825 15.606 -2.459 24 3HZ LYS 2 3HZ LYS 2 -14.258 15.501 -0.821 25 H ALA 3 H ALA 3 -6.670 14.559 -3.072 26 HA ALA 3 HA ALA 3 -6.678 12.154 -4.465 27 1HB ALA 3 1HB ALA 3 -5.223 14.467 -5.863 28 2HB ALA 3 2HB ALA 3 -5.089 12.785 -6.350 29 3HB ALA 3 3HB ALA 3 -6.617 13.626 -6.517 30 H CYS 4 H CYS 4 -4.997 10.921 -3.860 31 HA CYS 4 HA CYS 4 -3.286 11.837 -1.740 32 1HB CYS 4 1HB CYS 4 -3.376 9.301 -3.357 33 2HB CYS 4 2HB CYS 4 -2.325 9.524 -1.996 34 H THR 5 H THR 5 -0.915 11.215 -1.774 35 HA THR 5 HA THR 5 0.446 12.793 -3.725 36 HB THR 5 HB THR 5 1.628 10.793 -1.691 37 HG1 THR 5 HG1 THR 5 0.672 13.468 -1.514 38 1HG2 THR 5 1HG2 THR 5 2.569 13.492 -2.754 39 2HG2 THR 5 2HG2 THR 5 3.458 12.424 -1.667 40 3HG2 THR 5 3HG2 THR 5 3.172 11.945 -3.338 41 H LEU 6 H LEU 6 0.844 12.173 -5.616 42 HA LEU 6 HA LEU 6 0.423 9.626 -6.771 43 1HB LEU 6 1HB LEU 6 2.283 11.817 -7.788 44 2HB LEU 6 2HB LEU 6 1.537 10.567 -8.763 45 HG LEU 6 HG LEU 6 -0.001 12.724 -7.223 46 1HD1 LEU 6 1HD1 LEU 6 0.552 12.434 -10.210 47 2HD1 LEU 6 2HD1 LEU 6 -0.461 13.668 -9.477 48 3HD1 LEU 6 3HD1 LEU 6 1.263 13.642 -9.152 49 1HD2 LEU 6 1HD2 LEU 6 -0.988 10.648 -9.237 50 2HD2 LEU 6 2HD2 LEU 6 -1.328 10.622 -7.514 51 3HD2 LEU 6 3HD2 LEU 6 -1.968 11.910 -8.511 52 H ASN 7 H ASN 7 3.116 10.759 -4.979 53 HA ASN 7 HA ASN 7 5.167 9.238 -6.037 54 1HB ASN 7 1HB ASN 7 4.725 10.259 -3.210 55 2HB ASN 7 2HB ASN 7 6.249 9.596 -3.776 56 1HD2 ASN 7 2HD2 ASN 7 7.675 11.155 -4.476 57 2HD2 ASN 7 1HD2 ASN 7 7.246 12.652 -5.152 58 H CYS 8 H CYS 8 6.243 7.498 -5.060 59 HA CYS 8 HA CYS 8 4.443 5.279 -4.271 60 1HB CYS 8 1HB CYS 8 7.281 4.690 -4.699 61 2HB CYS 8 2HB CYS 8 5.877 3.909 -5.340 62 H ASP 9 H ASP 9 4.432 4.381 -2.321 63 HA ASP 9 HA ASP 9 5.981 5.541 -0.143 64 1HB ASP 9 1HB ASP 9 3.633 4.735 0.152 65 2HB ASP 9 2HB ASP 9 4.149 3.102 -0.212 66 HA PRO 10 HA PRO 10 9.291 2.843 -1.458 67 1HB PRO 10 1HB PRO 10 11.302 3.842 0.148 68 2HB PRO 10 2HB PRO 10 10.673 4.655 -1.276 69 1HG PRO 10 1HG PRO 10 10.173 5.257 1.593 70 2HG PRO 10 2HG PRO 10 10.178 6.343 0.211 71 1HD PRO 10 1HD PRO 10 7.880 5.258 1.484 72 2HD PRO 10 2HD PRO 10 7.920 6.123 -0.063 73 H ARG 11 H ARG 11 7.694 1.454 -0.092 74 HA ARG 11 HA ARG 11 9.194 -0.566 1.260 75 1HB ARG 11 1HB ARG 11 7.690 -0.475 3.305 76 2HB ARG 11 2HB ARG 11 8.890 0.789 3.208 77 1HG ARG 11 1HG ARG 11 7.369 2.483 2.722 78 2HG ARG 11 2HG ARG 11 6.181 1.408 2.013 79 1HD ARG 11 1HD ARG 11 6.882 1.532 4.967 80 2HD ARG 11 2HD ARG 11 5.402 2.155 4.227 81 HE ARG 11 HE ARG 11 5.520 -0.416 3.304 82 1HH1 ARG 11 1HH1 ARG 11 5.665 1.028 6.459 83 2HH1 ARG 11 2HH1 ARG 11 4.988 -0.352 7.256 84 1HH2 ARG 11 1HH2 ARG 11 4.669 -2.178 4.300 85 2HH2 ARG 11 2HH2 ARG 11 4.406 -2.201 6.013 86 H ILE 12 H ILE 12 6.115 0.830 0.141 87 HA ILE 12 HA ILE 12 4.724 -1.747 0.119 88 HB ILE 12 HB ILE 12 3.987 1.000 -0.905 89 1HG1 ILE 12 1HG1 ILE 12 3.063 -0.791 1.391 90 2HG1 ILE 12 2HG1 ILE 12 4.067 0.630 1.565 91 1HG2 ILE 12 1HG2 ILE 12 2.304 -1.572 -0.932 92 2HG2 ILE 12 2HG2 ILE 12 1.720 0.023 -1.377 93 3HG2 ILE 12 3HG2 ILE 12 2.917 -0.766 -2.366 94 1HD1 ILE 12 1HD1 ILE 12 2.197 2.002 0.647 95 2HD1 ILE 12 2HD1 ILE 12 1.203 0.550 0.567 96 3HD1 ILE 12 3HD1 ILE 12 1.757 1.142 2.124 97 H ALA 13 H ALA 13 4.323 -2.939 -1.733 98 HA ALA 13 HA ALA 13 6.072 -2.386 -4.086 99 1HB ALA 13 1HB ALA 13 4.673 -4.936 -3.199 100 2HB ALA 13 2HB ALA 13 5.735 -4.796 -4.585 101 3HB ALA 13 3HB ALA 13 6.369 -4.523 -2.982 102 H TYR 14 H TYR 14 2.881 -3.791 -3.465 103 HA TYR 14 HA TYR 14 1.551 -2.025 -5.363 104 1HB TYR 14 1HB TYR 14 0.914 -3.745 -7.029 105 2HB TYR 14 2HB TYR 14 2.649 -3.584 -6.985 106 HD1 TYR 14 HD1 TYR 14 3.904 -5.313 -5.396 107 HD2 TYR 14 HD2 TYR 14 -0.045 -5.884 -6.857 108 HE1 TYR 14 HE1 TYR 14 4.105 -7.708 -4.979 109 HE2 TYR 14 HE2 TYR 14 0.159 -8.288 -6.440 110 HH TYR 14 HH TYR 14 1.634 -9.742 -4.752 111 H GLY 15 H GLY 15 -0.688 -3.387 -5.922 112 1HA GLY 15 1HA GLY 15 -1.577 -4.848 -3.571 113 2HA GLY 15 2HA GLY 15 -2.329 -3.260 -3.737 114 H VAL 16 H VAL 16 -3.603 -5.744 -3.720 115 HA VAL 16 HA VAL 16 -4.580 -6.035 -6.539 116 HB VAL 16 HB VAL 16 -4.552 -7.943 -4.182 117 1HG1 VAL 16 1HG1 VAL 16 -6.090 -8.253 -6.797 118 2HG1 VAL 16 2HG1 VAL 16 -5.849 -9.538 -5.621 119 3HG1 VAL 16 3HG1 VAL 16 -6.815 -8.139 -5.209 120 1HG2 VAL 16 1HG2 VAL 16 -2.544 -7.818 -5.699 121 2HG2 VAL 16 2HG2 VAL 16 -3.354 -9.367 -5.858 122 3HG2 VAL 16 3HG2 VAL 16 -3.576 -8.128 -7.082 123 H CYS 17 H CYS 17 -6.301 -4.969 -6.974 124 HA CYS 17 HA CYS 17 -8.361 -4.438 -4.890 125 1HB CYS 17 1HB CYS 17 -7.900 -3.094 -7.559 126 2HB CYS 17 2HB CYS 17 -9.086 -2.613 -6.385 127 HA PRO 18 HA PRO 18 -11.090 -7.230 -6.839 128 1HB PRO 18 1HB PRO 18 -13.545 -5.865 -6.490 129 2HB PRO 18 2HB PRO 18 -12.792 -6.986 -5.367 130 1HG PRO 18 1HG PRO 18 -12.974 -4.057 -5.206 131 2HG PRO 18 2HG PRO 18 -12.580 -5.210 -3.940 132 1HD PRO 18 1HD PRO 18 -10.752 -3.489 -5.292 133 2HD PRO 18 2HD PRO 18 -10.336 -4.810 -4.184 134 H ARG 19 H ARG 19 -11.566 -7.679 -8.833 135 HA ARG 19 HA ARG 19 -11.761 -7.485 -11.108 136 1HB ARG 19 1HB ARG 19 -13.990 -5.936 -9.820 137 2HB ARG 19 2HB ARG 19 -13.831 -5.639 -11.528 138 1HG ARG 19 1HG ARG 19 -14.084 -8.406 -10.290 139 2HG ARG 19 2HG ARG 19 -15.415 -7.502 -10.976 140 1HD ARG 19 1HD ARG 19 -12.946 -8.483 -12.504 141 2HD ARG 19 2HD ARG 19 -14.580 -9.097 -12.663 142 HE ARG 19 HE ARG 19 -13.532 -6.658 -13.851 143 1HH1 ARG 19 1HH1 ARG 19 -16.384 -8.263 -12.698 144 2HH1 ARG 19 2HH1 ARG 19 -17.445 -7.331 -13.700 145 1HH2 ARG 19 1HH2 ARG 19 -14.855 -5.475 -15.122 146 2HH2 ARG 19 2HH2 ARG 19 -16.569 -5.729 -15.093 147 H SER 20 H SER 20 -9.728 -5.792 -10.099 148 HA SER 20 HA SER 20 -9.812 -3.457 -11.968 149 1HB SER 20 1HB SER 20 -7.887 -2.600 -10.581 150 2HB SER 20 2HB SER 20 -9.267 -2.997 -9.547 151 HG SER 20 HG SER 20 -8.202 -5.216 -9.613 152 H GLU 21 H GLU 21 -9.669 -5.569 -13.318 153 HA GLU 21 HA GLU 21 -8.598 -6.639 -15.056 154 1HB GLU 21 1HB GLU 21 -6.247 -4.780 -14.499 155 2HB GLU 21 2HB GLU 21 -6.519 -5.727 -15.944 156 1HG GLU 21 1HG GLU 21 -8.567 -4.448 -16.458 157 2HG GLU 21 2HG GLU 21 -8.347 -3.488 -15.000 158 H GLU 22 H GLU 22 -7.127 -6.695 -11.968 159 HA GLU 22 HA GLU 22 -5.649 -8.154 -10.950 160 1HB GLU 22 1HB GLU 22 -7.582 -9.636 -12.330 161 2HB GLU 22 2HB GLU 22 -6.119 -10.340 -12.971 162 1HG GLU 22 1HG GLU 22 -6.999 -11.505 -10.908 163 2HG GLU 22 2HG GLU 22 -5.349 -10.938 -10.736 164 H LYS 23 H LYS 23 -4.550 -6.404 -12.527 165 HA LYS 23 HA LYS 23 -2.388 -7.682 -14.045 166 1HB LYS 23 1HB LYS 23 -3.797 -5.037 -14.106 167 2HB LYS 23 2HB LYS 23 -2.095 -5.010 -14.517 168 1HG LYS 23 1HG LYS 23 -2.397 -6.582 -16.328 169 2HG LYS 23 2HG LYS 23 -4.032 -6.956 -15.818 170 1HD LYS 23 1HD LYS 23 -4.150 -5.447 -17.732 171 2HD LYS 23 2HD LYS 23 -4.708 -4.601 -16.306 172 1HE LYS 23 1HE LYS 23 -2.498 -3.486 -16.075 173 2HE LYS 23 2HE LYS 23 -1.948 -4.308 -17.532 174 1HZ LYS 23 1HZ LYS 23 -4.363 -2.602 -17.445 175 2HZ LYS 23 2HZ LYS 23 -2.818 -2.011 -17.839 176 3HZ LYS 23 3HZ LYS 23 -3.551 -3.193 -18.815 177 H LYS 24 H LYS 24 -3.080 -6.367 -11.072 178 HA LYS 24 HA LYS 24 -0.492 -5.173 -10.437 179 1HB LYS 24 1HB LYS 24 -2.576 -6.081 -8.395 180 2HB LYS 24 2HB LYS 24 -1.418 -4.788 -8.271 181 1HG LYS 24 1HG LYS 24 -2.888 -3.290 -9.094 182 2HG LYS 24 2HG LYS 24 -3.070 -4.182 -10.582 183 1HD LYS 24 1HD LYS 24 -4.657 -4.627 -8.008 184 2HD LYS 24 2HD LYS 24 -5.243 -3.902 -9.480 185 1HE LYS 24 1HE LYS 24 -5.083 -5.957 -10.712 186 2HE LYS 24 2HE LYS 24 -4.220 -6.782 -9.426 187 1HZ LYS 24 1HZ LYS 24 -6.529 -5.855 -8.276 188 2HZ LYS 24 2HZ LYS 24 -6.996 -6.458 -9.794 189 3HZ LYS 24 3HZ LYS 24 -6.160 -7.456 -8.704 190 H ASN 25 H ASN 25 0.754 -7.053 -11.179 191 HA ASN 25 HA ASN 25 1.229 -8.953 -9.011 192 1HB ASN 25 1HB ASN 25 1.264 -10.092 -11.797 193 2HB ASN 25 2HB ASN 25 0.825 -10.824 -10.271 194 1HD2 ASN 25 2HD2 ASN 25 -1.388 -10.236 -9.384 195 2HD2 ASN 25 1HD2 ASN 25 -2.619 -9.858 -10.490 196 H ASP 26 H ASP 26 2.638 -6.583 -10.177 197 HA ASP 26 HA ASP 26 5.267 -7.873 -10.347 198 1HB ASP 26 1HB ASP 26 3.847 -7.254 -12.742 199 2HB ASP 26 2HB ASP 26 5.046 -5.990 -12.632 200 H ARG 27 H ARG 27 4.340 -6.350 -8.409 201 HA ARG 27 HA ARG 27 4.532 -4.356 -7.190 202 1HB ARG 27 1HB ARG 27 6.337 -5.681 -6.475 203 2HB ARG 27 2HB ARG 27 7.227 -5.420 -7.942 204 1HG ARG 27 1HG ARG 27 6.755 -2.866 -6.506 205 2HG ARG 27 2HG ARG 27 7.530 -4.039 -5.481 206 1HD ARG 27 1HD ARG 27 8.605 -3.165 -8.201 207 2HD ARG 27 2HD ARG 27 9.205 -2.674 -6.635 208 HE ARG 27 HE ARG 27 9.972 -4.926 -6.213 209 1HH1 ARG 27 1HH1 ARG 27 8.727 -4.428 -9.431 210 2HH1 ARG 27 2HH1 ARG 27 9.521 -5.832 -10.050 211 1HH2 ARG 27 1HH2 ARG 27 10.956 -6.690 -6.997 212 2HH2 ARG 27 2HH2 ARG 27 10.791 -7.130 -8.665 213 H ILE 28 H ILE 28 3.625 -2.577 -8.158 214 HA ILE 28 HA ILE 28 4.997 -1.059 -10.167 215 HB ILE 28 HB ILE 28 2.497 -0.527 -8.606 216 1HG1 ILE 28 1HG1 ILE 28 1.343 -1.352 -10.924 217 2HG1 ILE 28 2HG1 ILE 28 2.893 -2.105 -11.201 218 1HG2 ILE 28 1HG2 ILE 28 3.303 0.691 -11.191 219 2HG2 ILE 28 2HG2 ILE 28 1.664 0.734 -10.544 220 3HG2 ILE 28 3HG2 ILE 28 2.938 1.495 -9.654 221 1HD1 ILE 28 1HD1 ILE 28 1.072 -2.673 -8.851 222 2HD1 ILE 28 2HD1 ILE 28 1.217 -3.664 -10.288 223 3HD1 ILE 28 3HD1 ILE 28 2.567 -3.539 -9.195 224 H CYS 29 H CYS 29 4.516 1.444 -9.363 225 HA CYS 29 HA CYS 29 6.077 1.873 -6.833 226 1HB CYS 29 1HB CYS 29 7.050 2.472 -9.216 227 2HB CYS 29 2HB CYS 29 5.929 3.797 -9.190 228 H THR 30 H THR 30 4.370 2.135 -5.477 229 HA THR 30 HA THR 30 2.671 4.493 -5.781 230 HB THR 30 HB THR 30 1.386 2.824 -7.131 231 HG1 THR 30 HG1 THR 30 0.446 4.232 -5.336 232 1HG2 THR 30 1HG2 THR 30 2.294 0.727 -6.004 233 2HG2 THR 30 2HG2 THR 30 1.345 1.120 -4.578 234 3HG2 THR 30 3HG2 THR 30 0.546 0.750 -6.099 235 H ASN 31 H ASN 31 1.066 4.575 -3.940 236 HA ASN 31 HA ASN 31 2.257 3.578 -1.391 237 1HB ASN 31 1HB ASN 31 1.588 5.803 -0.394 238 2HB ASN 31 2HB ASN 31 2.793 6.000 -1.644 239 1HD2 ASN 31 2HD2 ASN 31 0.290 7.591 -0.567 240 2HD2 ASN 31 1HD2 ASN 31 -0.326 8.192 -2.028 241 H CYS 32 H CYS 32 0.767 3.508 0.397 242 HA CYS 32 HA CYS 32 -1.589 2.062 -0.153 243 1HB CYS 32 1HB CYS 32 -0.533 1.881 2.010 244 2HB CYS 32 2HB CYS 32 -0.748 3.585 2.329 245 H CYS 33 H CYS 33 -1.288 5.501 0.685 246 HA CYS 33 HA CYS 33 -4.045 6.125 0.858 247 1HB CYS 33 1HB CYS 33 -2.134 7.624 1.461 248 2HB CYS 33 2HB CYS 33 -1.815 7.869 -0.230 249 H ALA 34 H ALA 34 -1.872 6.285 -1.948 250 HA ALA 34 HA ALA 34 -3.782 7.122 -3.878 251 1HB ALA 34 1HB ALA 34 -1.348 5.323 -4.265 252 2HB ALA 34 2HB ALA 34 -2.207 6.150 -5.555 253 3HB ALA 34 3HB ALA 34 -1.359 7.082 -4.336 254 H GLY 35 H GLY 35 -2.979 3.946 -2.628 255 1HA GLY 35 1HA GLY 35 -4.356 2.327 -4.404 256 2HA GLY 35 2HA GLY 35 -4.062 1.921 -2.712 257 H THR 36 H THR 36 -6.519 1.257 -4.080 258 HA THR 36 HA THR 36 -8.468 3.209 -3.046 259 HB THR 36 HB THR 36 -9.461 0.741 -4.390 260 HG1 THR 36 HG1 THR 36 -7.577 1.365 -5.582 261 1HG2 THR 36 1HG2 THR 36 -10.964 2.737 -3.855 262 2HG2 THR 36 2HG2 THR 36 -9.955 3.715 -4.910 263 3HG2 THR 36 3HG2 THR 36 -10.881 2.382 -5.569 264 H LYS 37 H LYS 37 -10.528 2.142 -2.166 265 HA LYS 37 HA LYS 37 -9.800 0.621 0.244 266 1HB LYS 37 1HB LYS 37 -11.442 2.228 0.769 267 2HB LYS 37 2HB LYS 37 -12.195 2.124 -0.802 268 1HG LYS 37 1HG LYS 37 -13.770 1.255 0.785 269 2HG LYS 37 2HG LYS 37 -13.193 -0.121 -0.124 270 1HD LYS 37 1HD LYS 37 -11.475 -0.489 1.798 271 2HD LYS 37 2HD LYS 37 -12.327 0.767 2.663 272 1HE LYS 37 1HE LYS 37 -14.424 -0.537 2.571 273 2HE LYS 37 2HE LYS 37 -13.611 -1.798 1.651 274 1HZ LYS 37 1HZ LYS 37 -12.093 -1.273 3.929 275 2HZ LYS 37 2HZ LYS 37 -13.710 -1.465 4.413 276 3HZ LYS 37 3HZ LYS 37 -12.937 -2.686 3.521 277 H GLY 38 H GLY 38 -10.538 -1.515 0.658 278 1HA GLY 38 1HA GLY 38 -11.585 -3.597 0.156 279 2HA GLY 38 2HA GLY 38 -11.938 -3.018 -1.469 280 H CYS 39 H CYS 39 -9.163 -1.991 -1.652 281 HA CYS 39 HA CYS 39 -7.903 -4.171 -2.983 282 1HB CYS 39 1HB CYS 39 -6.689 -1.592 -1.994 283 2HB CYS 39 2HB CYS 39 -6.048 -2.629 -3.232 284 H LYS 40 H LYS 40 -5.526 -4.540 -2.540 285 HA LYS 40 HA LYS 40 -4.948 -4.956 0.351 286 1HB LYS 40 1HB LYS 40 -4.797 -7.144 -1.791 287 2HB LYS 40 2HB LYS 40 -4.217 -7.305 -0.143 288 1HG LYS 40 1HG LYS 40 -6.560 -6.899 0.691 289 2HG LYS 40 2HG LYS 40 -7.112 -6.778 -0.967 290 1HD LYS 40 1HD LYS 40 -7.592 -9.019 -0.179 291 2HD LYS 40 2HD LYS 40 -6.332 -9.119 -1.391 292 1HE LYS 40 1HE LYS 40 -4.606 -9.310 0.401 293 2HE LYS 40 2HE LYS 40 -5.858 -9.150 1.626 294 1HZ LYS 40 1HZ LYS 40 -6.883 -11.158 0.775 295 2HZ LYS 40 2HZ LYS 40 -5.661 -11.305 -0.395 296 3HZ LYS 40 3HZ LYS 40 -5.278 -11.439 1.254 297 H TYR 41 H TYR 41 -3.422 -3.266 0.097 298 HA TYR 41 HA TYR 41 -1.300 -3.552 -1.871 299 1HB TYR 41 1HB TYR 41 -2.178 -1.440 0.092 300 2HB TYR 41 2HB TYR 41 -0.570 -1.356 -0.606 301 HD1 TYR 41 HD1 TYR 41 -4.198 -1.439 -1.433 302 HD2 TYR 41 HD2 TYR 41 -0.260 -0.838 -2.944 303 HE1 TYR 41 HE1 TYR 41 -5.123 -0.571 -3.531 304 HE2 TYR 41 HE2 TYR 41 -1.197 0.020 -5.036 305 HH TYR 41 HH TYR 41 -4.667 0.494 -5.446 306 H PHE 42 H PHE 42 0.265 -4.841 -1.520 307 HA PHE 42 HA PHE 42 1.435 -5.159 1.182 308 1HB PHE 42 1HB PHE 42 2.305 -7.312 -0.449 309 2HB PHE 42 2HB PHE 42 1.150 -7.360 0.849 310 HD1 PHE 42 HD1 PHE 42 1.213 -6.398 -2.789 311 HD2 PHE 42 HD2 PHE 42 -0.933 -8.242 0.404 312 HE1 PHE 42 HE1 PHE 42 -0.575 -7.048 -4.343 313 HE2 PHE 42 HE2 PHE 42 -2.702 -8.891 -1.161 314 HZ PHE 42 HZ PHE 42 -2.519 -8.289 -3.536 315 H SER 43 H SER 43 3.572 -5.369 1.424 316 HA SER 43 HA SER 43 5.279 -3.671 -0.063 317 1HB SER 43 1HB SER 43 5.796 -5.746 2.085 318 2HB SER 43 2HB SER 43 6.964 -4.588 1.519 319 HG SER 43 HG SER 43 5.536 -2.917 2.047 320 H ASP 44 H ASP 44 7.538 -4.573 -0.342 321 HA ASP 44 HA ASP 44 7.495 -6.282 -2.722 322 1HB ASP 44 1HB ASP 44 9.147 -4.206 -1.799 323 2HB ASP 44 2HB ASP 44 10.164 -5.613 -1.578 324 H ASP 45 H ASP 45 8.328 -6.530 0.601 325 HA ASP 45 HA ASP 45 9.773 -9.016 0.527 326 1HB ASP 45 1HB ASP 45 9.944 -7.432 2.422 327 2HB ASP 45 2HB ASP 45 8.236 -7.620 2.769 328 H GLY 46 H GLY 46 6.518 -8.294 -0.009 329 1HA GLY 46 1HA GLY 46 4.757 -9.643 -0.505 330 2HA GLY 46 2HA GLY 46 5.762 -11.066 -0.137 331 H THR 47 H THR 47 4.339 -8.242 1.427 332 HA THR 47 HA THR 47 3.104 -9.794 3.477 333 HB THR 47 HB THR 47 5.270 -7.706 4.048 334 HG1 THR 47 HG1 THR 47 6.423 -9.418 4.596 335 1HG2 THR 47 1HG2 THR 47 3.619 -9.395 6.038 336 2HG2 THR 47 2HG2 THR 47 4.878 -8.251 6.476 337 3HG2 THR 47 3HG2 THR 47 3.364 -7.673 5.805 338 H PHE 48 H PHE 48 1.193 -9.001 3.734 339 HA PHE 48 HA PHE 48 0.111 -6.755 2.434 340 1HB PHE 48 1HB PHE 48 -1.245 -8.635 3.200 341 2HB PHE 48 2HB PHE 48 -0.882 -8.268 4.874 342 HD1 PHE 48 HD1 PHE 48 -1.739 -6.113 5.876 343 HD2 PHE 48 HD2 PHE 48 -3.021 -7.452 2.034 344 HE1 PHE 48 HE1 PHE 48 -3.659 -4.603 5.994 345 HE2 PHE 48 HE2 PHE 48 -4.949 -5.937 2.170 346 HZ PHE 48 HZ PHE 48 -5.265 -4.506 4.146 347 H VAL 49 H VAL 49 0.227 -4.714 2.757 348 HA VAL 49 HA VAL 49 1.117 -3.616 5.389 349 HB VAL 49 HB VAL 49 0.950 -2.213 2.689 350 1HG1 VAL 49 1HG1 VAL 49 2.288 -1.392 5.299 351 2HG1 VAL 49 2HG1 VAL 49 2.410 -0.516 3.782 352 3HG1 VAL 49 3HG1 VAL 49 0.866 -0.643 4.600 353 1HG2 VAL 49 1HG2 VAL 49 3.319 -3.472 4.102 354 2HG2 VAL 49 2HG2 VAL 49 2.578 -4.045 2.623 355 3HG2 VAL 49 3HG2 VAL 49 3.397 -2.496 2.638 356 H CYS 50 H CYS 50 -1.364 -2.959 2.841 357 HA CYS 50 HA CYS 50 -3.340 -2.309 4.893 358 1HB CYS 50 1HB CYS 50 -3.421 -0.014 4.671 359 2HB CYS 50 2HB CYS 50 -1.740 -0.178 4.243 360 H GLU 51 H GLU 51 -5.196 -1.191 3.581 361 HA GLU 51 HA GLU 51 -5.663 -2.833 1.127 362 1HB GLU 51 1HB GLU 51 -7.169 -3.711 2.790 363 2HB GLU 51 2HB GLU 51 -7.387 -2.161 3.564 364 1HG GLU 51 1HG GLU 51 -9.045 -1.467 2.088 365 2HG GLU 51 2HG GLU 51 -8.524 -2.483 0.771 366 H GLY 52 H GLY 52 -4.366 -0.762 0.626 367 1HA GLY 52 1HA GLY 52 -4.229 1.347 -0.378 368 2HA GLY 52 2HA GLY 52 -5.748 0.898 -1.131 369 H GLU 53 H GLU 53 -7.072 2.563 -0.884 370 HA GLU 53 HA GLU 53 -8.675 3.421 0.977 371 1HB GLU 53 1HB GLU 53 -6.933 3.833 2.725 372 2HB GLU 53 2HB GLU 53 -6.028 4.875 1.639 373 1HG GLU 53 1HG GLU 53 -7.437 6.035 3.428 374 2HG GLU 53 2HG GLU 53 -7.786 6.601 1.816 375 H SER 54 H SER 54 -9.296 3.681 -1.231 376 HA SER 54 HA SER 54 -9.902 4.877 -3.111 377 1HB SER 54 1HB SER 54 -10.545 7.279 -2.643 378 2HB SER 54 2HB SER 54 -11.122 6.168 -1.402 379 HG SER 54 HG SER 54 -9.483 6.785 -0.079 Start of MODEL 20 1 1H MET 1 1H MET 1 -11.081 12.941 1.752 2 2H MET 1 2H MET 1 -10.455 11.859 2.902 3 3H MET 1 3H MET 1 -9.796 13.417 2.755 4 HA MET 1 HA MET 1 -8.327 11.883 1.748 5 1HB MET 1 1HB MET 1 -10.736 10.550 1.003 6 2HB MET 1 2HB MET 1 -10.024 11.048 -0.515 7 1HG MET 1 1HG MET 1 -8.654 9.468 1.676 8 2HG MET 1 2HG MET 1 -9.229 8.826 0.164 9 1HE MET 1 1HE MET 1 -8.170 8.697 -1.860 10 2HE MET 1 2HE MET 1 -8.082 10.420 -2.279 11 3HE MET 1 3HE MET 1 -6.649 9.394 -2.352 12 H LYS 2 H LYS 2 -7.167 12.347 -0.090 13 HA LYS 2 HA LYS 2 -8.124 14.486 -1.912 14 1HB LYS 2 1HB LYS 2 -6.919 15.513 0.032 15 2HB LYS 2 2HB LYS 2 -5.488 14.572 -0.358 16 1HG LYS 2 1HG LYS 2 -5.493 15.662 -2.662 17 2HG LYS 2 2HG LYS 2 -6.814 16.678 -2.128 18 1HD LYS 2 1HD LYS 2 -4.033 16.594 -0.880 19 2HD LYS 2 2HD LYS 2 -4.607 17.824 -1.981 20 1HE LYS 2 1HE LYS 2 -4.822 18.767 0.216 21 2HE LYS 2 2HE LYS 2 -6.454 18.338 -0.267 22 1HZ LYS 2 1HZ LYS 2 -5.129 16.188 1.050 23 2HZ LYS 2 2HZ LYS 2 -5.190 17.585 2.014 24 3HZ LYS 2 3HZ LYS 2 -6.623 16.921 1.392 25 H ALA 3 H ALA 3 -7.213 14.345 -3.926 26 HA ALA 3 HA ALA 3 -6.528 11.988 -5.050 27 1HB ALA 3 1HB ALA 3 -5.575 14.746 -5.895 28 2HB ALA 3 2HB ALA 3 -5.578 13.331 -6.939 29 3HB ALA 3 3HB ALA 3 -7.095 13.984 -6.340 30 H CYS 4 H CYS 4 -5.018 10.635 -4.273 31 HA CYS 4 HA CYS 4 -2.429 11.456 -3.298 32 1HB CYS 4 1HB CYS 4 -3.497 8.739 -4.041 33 2HB CYS 4 2HB CYS 4 -2.036 9.036 -3.163 34 H THR 5 H THR 5 -0.428 10.456 -4.110 35 HA THR 5 HA THR 5 -0.131 10.895 -6.980 36 HB THR 5 HB THR 5 1.916 10.248 -4.752 37 HG1 THR 5 HG1 THR 5 0.677 12.164 -4.469 38 1HG2 THR 5 1HG2 THR 5 2.176 11.638 -7.450 39 2HG2 THR 5 2HG2 THR 5 3.483 11.285 -6.315 40 3HG2 THR 5 3HG2 THR 5 2.661 9.970 -7.156 41 H LEU 6 H LEU 6 -0.440 9.290 -8.254 42 HA LEU 6 HA LEU 6 -0.873 6.579 -7.523 43 1HB LEU 6 1HB LEU 6 -0.086 7.672 -10.253 44 2HB LEU 6 2HB LEU 6 -0.930 6.166 -9.951 45 HG LEU 6 HG LEU 6 -2.020 8.941 -9.244 46 1HD1 LEU 6 1HD1 LEU 6 -1.925 8.550 -11.697 47 2HD1 LEU 6 2HD1 LEU 6 -2.783 7.030 -11.500 48 3HD1 LEU 6 3HD1 LEU 6 -3.588 8.547 -11.135 49 1HD2 LEU 6 1HD2 LEU 6 -3.375 6.199 -9.159 50 2HD2 LEU 6 2HD2 LEU 6 -2.918 7.145 -7.751 51 3HD2 LEU 6 3HD2 LEU 6 -4.159 7.736 -8.833 52 H ASN 7 H ASN 7 2.067 8.153 -7.660 53 HA ASN 7 HA ASN 7 3.766 6.280 -8.776 54 1HB ASN 7 1HB ASN 7 4.247 8.364 -6.618 55 2HB ASN 7 2HB ASN 7 5.543 7.484 -7.408 56 1HD2 ASN 7 2HD2 ASN 7 6.394 9.440 -8.354 57 2HD2 ASN 7 1HD2 ASN 7 5.614 10.220 -9.644 58 H CYS 8 H CYS 8 5.582 5.356 -7.444 59 HA CYS 8 HA CYS 8 4.687 3.113 -5.923 60 1HB CYS 8 1HB CYS 8 7.323 4.399 -6.361 61 2HB CYS 8 2HB CYS 8 7.205 3.193 -5.160 62 H ASP 9 H ASP 9 4.919 2.665 -3.831 63 HA ASP 9 HA ASP 9 4.997 4.960 -1.896 64 1HB ASP 9 1HB ASP 9 3.044 3.396 -1.829 65 2HB ASP 9 2HB ASP 9 4.131 2.119 -1.353 66 HA PRO 10 HA PRO 10 9.186 3.758 -1.153 67 1HB PRO 10 1HB PRO 10 9.008 4.653 1.650 68 2HB PRO 10 2HB PRO 10 9.987 5.271 0.327 69 1HG PRO 10 1HG PRO 10 7.713 6.521 1.363 70 2HG PRO 10 2HG PRO 10 8.449 6.875 -0.190 71 1HD PRO 10 1HD PRO 10 5.921 5.475 0.352 72 2HD PRO 10 2HD PRO 10 6.531 6.142 -1.172 73 H ARG 11 H ARG 11 6.686 2.187 0.506 74 HA ARG 11 HA ARG 11 8.609 0.081 1.393 75 1HB ARG 11 1HB ARG 11 7.593 -0.115 3.522 76 2HB ARG 11 2HB ARG 11 7.834 1.595 3.273 77 1HG ARG 11 1HG ARG 11 5.296 1.280 2.223 78 2HG ARG 11 2HG ARG 11 5.298 0.007 3.417 79 1HD ARG 11 1HD ARG 11 4.437 1.928 4.512 80 2HD ARG 11 2HD ARG 11 6.080 1.797 5.117 81 HE ARG 11 HE ARG 11 5.091 3.743 3.082 82 1HH1 ARG 11 1HH1 ARG 11 7.681 2.643 5.139 83 2HH1 ARG 11 2HH1 ARG 11 8.600 4.088 4.896 84 1HH2 ARG 11 1HH2 ARG 11 6.245 5.539 2.782 85 2HH2 ARG 11 2HH2 ARG 11 7.785 5.744 3.549 86 H ILE 12 H ILE 12 5.894 0.750 -0.479 87 HA ILE 12 HA ILE 12 4.734 -1.976 -0.087 88 HB ILE 12 HB ILE 12 3.646 0.304 -1.660 89 1HG1 ILE 12 1HG1 ILE 12 3.037 -0.737 1.159 90 2HG1 ILE 12 2HG1 ILE 12 3.855 0.770 0.815 91 1HG2 ILE 12 1HG2 ILE 12 2.414 -2.337 -0.707 92 2HG2 ILE 12 2HG2 ILE 12 1.546 -1.081 -1.564 93 3HG2 ILE 12 3HG2 ILE 12 2.808 -1.951 -2.375 94 1HD1 ILE 12 1HD1 ILE 12 1.870 1.584 -0.355 95 2HD1 ILE 12 2HD1 ILE 12 1.026 0.091 0.058 96 3HD1 ILE 12 3HD1 ILE 12 1.551 1.180 1.333 97 H ALA 13 H ALA 13 4.454 -3.335 -1.861 98 HA ALA 13 HA ALA 13 6.348 -2.972 -4.125 99 1HB ALA 13 1HB ALA 13 4.676 -5.392 -3.279 100 2HB ALA 13 2HB ALA 13 5.872 -5.378 -4.561 101 3HB ALA 13 3HB ALA 13 6.371 -5.132 -2.905 102 H TYR 14 H TYR 14 3.034 -4.040 -3.524 103 HA TYR 14 HA TYR 14 1.891 -2.285 -5.544 104 1HB TYR 14 1HB TYR 14 1.135 -4.085 -7.112 105 2HB TYR 14 2HB TYR 14 2.882 -4.009 -7.019 106 HD1 TYR 14 HD1 TYR 14 4.149 -5.721 -5.727 107 HD2 TYR 14 HD2 TYR 14 -0.051 -6.053 -6.301 108 HE1 TYR 14 HE1 TYR 14 4.254 -8.069 -5.069 109 HE2 TYR 14 HE2 TYR 14 0.053 -8.404 -5.643 110 HH TYR 14 HH TYR 14 1.695 -9.828 -4.140 111 H GLY 15 H GLY 15 -0.448 -3.508 -6.061 112 1HA GLY 15 1HA GLY 15 -1.580 -4.687 -3.654 113 2HA GLY 15 2HA GLY 15 -2.144 -3.044 -3.947 114 H VAL 16 H VAL 16 -3.699 -5.388 -3.916 115 HA VAL 16 HA VAL 16 -4.715 -5.429 -6.742 116 HB VAL 16 HB VAL 16 -4.890 -7.792 -4.831 117 1HG1 VAL 16 1HG1 VAL 16 -5.269 -7.519 -7.873 118 2HG1 VAL 16 2HG1 VAL 16 -5.435 -9.015 -6.968 119 3HG1 VAL 16 3HG1 VAL 16 -6.578 -7.709 -6.720 120 1HG2 VAL 16 1HG2 VAL 16 -2.495 -7.343 -5.452 121 2HG2 VAL 16 2HG2 VAL 16 -3.081 -8.829 -6.170 122 3HG2 VAL 16 3HG2 VAL 16 -2.947 -7.378 -7.141 123 H CYS 17 H CYS 17 -6.726 -4.950 -7.048 124 HA CYS 17 HA CYS 17 -8.622 -4.825 -4.733 125 1HB CYS 17 1HB CYS 17 -7.677 -2.751 -6.376 126 2HB CYS 17 2HB CYS 17 -9.208 -3.141 -7.097 127 HA PRO 18 HA PRO 18 -11.215 -7.650 -6.728 128 1HB PRO 18 1HB PRO 18 -13.765 -6.407 -6.499 129 2HB PRO 18 2HB PRO 18 -13.006 -7.506 -5.357 130 1HG PRO 18 1HG PRO 18 -13.394 -4.630 -5.129 131 2HG PRO 18 2HG PRO 18 -12.853 -5.763 -3.900 132 1HD PRO 18 1HD PRO 18 -11.254 -3.853 -5.336 133 2HD PRO 18 2HD PRO 18 -10.694 -5.053 -4.157 134 H ARG 19 H ARG 19 -11.486 -8.156 -8.738 135 HA ARG 19 HA ARG 19 -11.581 -8.007 -11.037 136 1HB ARG 19 1HB ARG 19 -14.053 -6.672 -9.930 137 2HB ARG 19 2HB ARG 19 -13.791 -6.443 -11.640 138 1HG ARG 19 1HG ARG 19 -15.163 -8.418 -11.336 139 2HG ARG 19 2HG ARG 19 -13.604 -8.902 -11.967 140 1HD ARG 19 1HD ARG 19 -14.327 -10.408 -10.122 141 2HD ARG 19 2HD ARG 19 -12.872 -9.533 -9.655 142 HE ARG 19 HE ARG 19 -15.367 -8.198 -8.898 143 1HH1 ARG 19 1HH1 ARG 19 -12.930 -10.493 -7.989 144 2HH1 ARG 19 2HH1 ARG 19 -13.260 -10.337 -6.298 145 1HH2 ARG 19 1HH2 ARG 19 -15.799 -7.991 -6.770 146 2HH2 ARG 19 2HH2 ARG 19 -14.909 -8.902 -5.594 147 H SER 20 H SER 20 -9.842 -6.099 -9.859 148 HA SER 20 HA SER 20 -10.079 -3.691 -11.586 149 1HB SER 20 1HB SER 20 -8.075 -2.892 -10.249 150 2HB SER 20 2HB SER 20 -9.356 -3.448 -9.166 151 HG SER 20 HG SER 20 -7.631 -4.565 -8.496 152 H GLU 21 H GLU 21 -9.988 -5.708 -13.094 153 HA GLU 21 HA GLU 21 -8.910 -6.941 -14.754 154 1HB GLU 21 1HB GLU 21 -7.197 -4.414 -14.915 155 2HB GLU 21 2HB GLU 21 -7.598 -5.497 -16.234 156 1HG GLU 21 1HG GLU 21 -9.514 -3.644 -14.743 157 2HG GLU 21 2HG GLU 21 -9.035 -3.539 -16.423 158 H GLU 22 H GLU 22 -7.905 -7.376 -12.158 159 HA GLU 22 HA GLU 22 -6.256 -8.521 -11.002 160 1HB GLU 22 1HB GLU 22 -6.427 -10.049 -12.983 161 2HB GLU 22 2HB GLU 22 -5.313 -9.068 -13.894 162 1HG GLU 22 1HG GLU 22 -4.626 -10.667 -11.414 163 2HG GLU 22 2HG GLU 22 -4.219 -11.096 -13.058 164 H LYS 23 H LYS 23 -5.344 -6.826 -9.937 165 HA LYS 23 HA LYS 23 -3.426 -5.076 -11.257 166 1HB LYS 23 1HB LYS 23 -5.176 -4.938 -8.857 167 2HB LYS 23 2HB LYS 23 -3.665 -4.078 -8.689 168 1HG LYS 23 1HG LYS 23 -5.492 -3.665 -11.054 169 2HG LYS 23 2HG LYS 23 -5.566 -2.699 -9.595 170 1HD LYS 23 1HD LYS 23 -3.166 -2.052 -9.931 171 2HD LYS 23 2HD LYS 23 -3.113 -2.999 -11.406 172 1HE LYS 23 1HE LYS 23 -4.910 -1.591 -12.389 173 2HE LYS 23 2HE LYS 23 -4.964 -0.634 -10.913 174 1HZ LYS 23 1HZ LYS 23 -2.609 -0.955 -12.679 175 2HZ LYS 23 2HZ LYS 23 -3.615 0.411 -12.594 176 3HZ LYS 23 3HZ LYS 23 -2.664 -0.028 -11.256 177 H LYS 24 H LYS 24 -1.896 -6.995 -11.370 178 HA LYS 24 HA LYS 24 0.285 -6.522 -9.529 179 1HB LYS 24 1HB LYS 24 -1.006 -8.050 -8.036 180 2HB LYS 24 2HB LYS 24 -1.168 -9.246 -9.289 181 1HG LYS 24 1HG LYS 24 1.517 -8.320 -8.202 182 2HG LYS 24 2HG LYS 24 0.631 -9.665 -7.522 183 1HD LYS 24 1HD LYS 24 0.832 -10.911 -9.658 184 2HD LYS 24 2HD LYS 24 1.753 -9.599 -10.369 185 1HE LYS 24 1HE LYS 24 2.617 -11.109 -7.899 186 2HE LYS 24 2HE LYS 24 3.279 -11.301 -9.517 187 1HZ LYS 24 1HZ LYS 24 3.627 -8.757 -9.336 188 2HZ LYS 24 2HZ LYS 24 3.537 -9.046 -7.665 189 3HZ LYS 24 3HZ LYS 24 4.724 -9.823 -8.599 190 H ASN 25 H ASN 25 1.903 -6.573 -10.880 191 HA ASN 25 HA ASN 25 2.255 -8.758 -12.788 192 1HB ASN 25 1HB ASN 25 1.365 -6.000 -13.543 193 2HB ASN 25 2HB ASN 25 2.780 -6.524 -14.440 194 1HD2 ASN 25 2HD2 ASN 25 -0.598 -7.351 -13.725 195 2HD2 ASN 25 1HD2 ASN 25 -0.803 -8.380 -15.057 196 H ASP 26 H ASP 26 3.805 -9.068 -11.135 197 HA ASP 26 HA ASP 26 5.927 -8.993 -10.197 198 1HB ASP 26 1HB ASP 26 6.192 -8.458 -13.126 199 2HB ASP 26 2HB ASP 26 7.568 -7.871 -12.217 200 H ARG 27 H ARG 27 4.872 -7.374 -8.886 201 HA ARG 27 HA ARG 27 4.700 -5.406 -7.734 202 1HB ARG 27 1HB ARG 27 6.712 -6.218 -6.875 203 2HB ARG 27 2HB ARG 27 7.588 -5.908 -8.339 204 1HG ARG 27 1HG ARG 27 6.509 -3.524 -6.818 205 2HG ARG 27 2HG ARG 27 7.809 -4.391 -6.053 206 1HD ARG 27 1HD ARG 27 9.206 -3.074 -7.249 207 2HD ARG 27 2HD ARG 27 8.786 -4.046 -8.656 208 HE ARG 27 HE ARG 27 6.752 -2.219 -8.559 209 1HH1 ARG 27 1HH1 ARG 27 10.208 -1.954 -8.498 210 2HH1 ARG 27 2HH1 ARG 27 10.207 -0.402 -9.266 211 1HH2 ARG 27 1HH2 ARG 27 6.729 -0.276 -9.522 212 2HH2 ARG 27 2HH2 ARG 27 8.207 0.566 -9.858 213 H ILE 28 H ILE 28 3.532 -3.902 -8.589 214 HA ILE 28 HA ILE 28 4.254 -2.289 -10.844 215 HB ILE 28 HB ILE 28 1.933 -1.690 -9.046 216 1HG1 ILE 28 1HG1 ILE 28 1.884 -4.009 -11.096 217 2HG1 ILE 28 2HG1 ILE 28 1.979 -4.310 -9.377 218 1HG2 ILE 28 1HG2 ILE 28 2.294 -0.363 -11.093 219 2HG2 ILE 28 2HG2 ILE 28 2.275 -1.836 -12.048 220 3HG2 ILE 28 3HG2 ILE 28 0.822 -1.283 -11.228 221 1HD1 ILE 28 1HD1 ILE 28 -0.172 -3.177 -9.004 222 2HD1 ILE 28 2HD1 ILE 28 -0.338 -2.893 -10.731 223 3HD1 ILE 28 3HD1 ILE 28 -0.315 -4.525 -10.117 224 H CYS 29 H CYS 29 3.589 0.257 -10.252 225 HA CYS 29 HA CYS 29 5.209 1.005 -7.860 226 1HB CYS 29 1HB CYS 29 5.958 1.326 -10.416 227 2HB CYS 29 2HB CYS 29 4.940 2.715 -10.316 228 H THR 30 H THR 30 3.291 0.943 -6.703 229 HA THR 30 HA THR 30 1.557 3.342 -7.045 230 HB THR 30 HB THR 30 0.379 1.364 -8.011 231 HG1 THR 30 HG1 THR 30 -1.367 1.388 -6.340 232 1HG2 THR 30 1HG2 THR 30 0.658 0.156 -5.201 233 2HG2 THR 30 2HG2 THR 30 -0.259 -0.535 -6.531 234 3HG2 THR 30 3HG2 THR 30 1.489 -0.427 -6.630 235 H ASN 31 H ASN 31 -0.019 3.283 -4.968 236 HA ASN 31 HA ASN 31 1.452 2.657 -2.527 237 1HB ASN 31 1HB ASN 31 1.303 5.052 -1.708 238 2HB ASN 31 2HB ASN 31 2.297 4.937 -3.149 239 1HD2 ASN 31 2HD2 ASN 31 0.952 7.323 -2.255 240 2HD2 ASN 31 1HD2 ASN 31 -0.150 7.759 -3.469 241 H CYS 32 H CYS 32 0.305 2.640 -0.666 242 HA CYS 32 HA CYS 32 -2.347 1.734 -0.741 243 1HB CYS 32 1HB CYS 32 -0.967 1.291 1.188 244 2HB CYS 32 2HB CYS 32 -0.761 2.994 1.515 245 H CYS 33 H CYS 33 -1.144 4.978 -0.302 246 HA CYS 33 HA CYS 33 -3.449 6.340 0.562 247 1HB CYS 33 1HB CYS 33 -1.136 7.279 0.289 248 2HB CYS 33 2HB CYS 33 -1.380 7.301 -1.430 249 H ALA 34 H ALA 34 -2.437 5.494 -2.728 250 HA ALA 34 HA ALA 34 -4.680 6.725 -4.052 251 1HB ALA 34 1HB ALA 34 -2.902 4.413 -4.965 252 2HB ALA 34 2HB ALA 34 -3.976 5.337 -6.003 253 3HB ALA 34 3HB ALA 34 -2.595 6.119 -5.255 254 H GLY 35 H GLY 35 -3.979 3.334 -3.263 255 1HA GLY 35 1HA GLY 35 -6.301 2.120 -4.077 256 2HA GLY 35 2HA GLY 35 -5.341 1.549 -2.732 257 H THR 36 H THR 36 -8.235 1.560 -3.153 258 HA THR 36 HA THR 36 -9.027 2.782 -0.577 259 HB THR 36 HB THR 36 -10.982 2.758 -2.930 260 HG1 THR 36 HG1 THR 36 -8.992 3.838 -3.520 261 1HG2 THR 36 1HG2 THR 36 -11.796 3.535 -0.631 262 2HG2 THR 36 2HG2 THR 36 -10.593 4.805 -0.696 263 3HG2 THR 36 3HG2 THR 36 -11.889 4.762 -1.869 264 H LYS 37 H LYS 37 -11.478 1.901 -0.270 265 HA LYS 37 HA LYS 37 -11.456 -0.582 0.764 266 1HB LYS 37 1HB LYS 37 -13.469 0.437 1.166 267 2HB LYS 37 2HB LYS 37 -13.582 1.121 -0.441 268 1HG LYS 37 1HG LYS 37 -14.395 -1.029 -1.332 269 2HG LYS 37 2HG LYS 37 -14.163 -1.791 0.236 270 1HD LYS 37 1HD LYS 37 -15.829 -0.198 1.225 271 2HD LYS 37 2HD LYS 37 -16.054 0.536 -0.354 272 1HE LYS 37 1HE LYS 37 -17.841 -1.116 0.089 273 2HE LYS 37 2HE LYS 37 -16.844 -1.664 -1.250 274 1HZ LYS 37 1HZ LYS 37 -16.278 -2.498 1.519 275 2HZ LYS 37 2HZ LYS 37 -17.420 -3.315 0.566 276 3HZ LYS 37 3HZ LYS 37 -15.799 -3.233 0.066 277 H GLY 38 H GLY 38 -11.372 -2.611 0.227 278 1HA GLY 38 1HA GLY 38 -11.806 -4.561 -1.091 279 2HA GLY 38 2HA GLY 38 -11.953 -3.547 -2.521 280 H CYS 39 H CYS 39 -9.617 -2.026 -2.210 281 HA CYS 39 HA CYS 39 -7.660 -3.719 -3.398 282 1HB CYS 39 1HB CYS 39 -7.240 -1.029 -2.119 283 2HB CYS 39 2HB CYS 39 -6.219 -1.833 -3.265 284 H LYS 40 H LYS 40 -5.651 -4.300 -2.671 285 HA LYS 40 HA LYS 40 -5.114 -4.374 0.259 286 1HB LYS 40 1HB LYS 40 -5.150 -6.766 -1.611 287 2HB LYS 40 2HB LYS 40 -4.533 -6.820 0.030 288 1HG LYS 40 1HG LYS 40 -6.724 -6.231 0.949 289 2HG LYS 40 2HG LYS 40 -7.398 -5.985 -0.644 290 1HD LYS 40 1HD LYS 40 -6.368 -8.649 0.395 291 2HD LYS 40 2HD LYS 40 -8.055 -8.179 0.321 292 1HE LYS 40 1HE LYS 40 -6.189 -8.537 -2.080 293 2HE LYS 40 2HE LYS 40 -7.550 -9.548 -1.639 294 1HZ LYS 40 1HZ LYS 40 -8.995 -7.591 -1.919 295 2HZ LYS 40 2HZ LYS 40 -7.660 -6.723 -2.507 296 3HZ LYS 40 3HZ LYS 40 -8.225 -8.084 -3.351 297 H TYR 41 H TYR 41 -3.359 -3.088 0.185 298 HA TYR 41 HA TYR 41 -1.289 -3.476 -1.834 299 1HB TYR 41 1HB TYR 41 -1.903 -1.412 0.275 300 2HB TYR 41 2HB TYR 41 -0.329 -1.456 -0.474 301 HD1 TYR 41 HD1 TYR 41 -3.941 -1.668 -1.619 302 HD2 TYR 41 HD2 TYR 41 -0.058 -0.039 -2.295 303 HE1 TYR 41 HE1 TYR 41 -4.776 -0.414 -3.549 304 HE2 TYR 41 HE2 TYR 41 -0.913 1.195 -4.200 305 HH TYR 41 HH TYR 41 -3.608 2.063 -4.779 306 H PHE 42 H PHE 42 0.362 -4.738 -1.536 307 HA PHE 42 HA PHE 42 1.467 -5.260 1.156 308 1HB PHE 42 1HB PHE 42 2.120 -7.483 -0.496 309 2HB PHE 42 2HB PHE 42 0.990 -7.408 0.827 310 HD1 PHE 42 HD1 PHE 42 0.981 -6.401 -2.793 311 HD2 PHE 42 HD2 PHE 42 -1.087 -8.215 0.460 312 HE1 PHE 42 HE1 PHE 42 -0.923 -6.893 -4.252 313 HE2 PHE 42 HE2 PHE 42 -2.986 -8.713 -1.013 314 HZ PHE 42 HZ PHE 42 -2.898 -8.053 -3.373 315 H SER 43 H SER 43 3.608 -5.588 1.364 316 HA SER 43 HA SER 43 5.382 -4.114 -0.335 317 1HB SER 43 1HB SER 43 5.864 -5.899 2.076 318 2HB SER 43 2HB SER 43 6.977 -4.739 1.389 319 HG SER 43 HG SER 43 6.012 -3.358 2.604 320 H ASP 44 H ASP 44 7.574 -5.228 -0.518 321 HA ASP 44 HA ASP 44 7.248 -7.497 -2.393 322 1HB ASP 44 1HB ASP 44 8.843 -5.217 -2.488 323 2HB ASP 44 2HB ASP 44 10.001 -6.422 -1.958 324 H ASP 45 H ASP 45 8.341 -6.817 0.738 325 HA ASP 45 HA ASP 45 10.079 -9.100 1.133 326 1HB ASP 45 1HB ASP 45 10.295 -7.041 2.479 327 2HB ASP 45 2HB ASP 45 8.653 -7.210 3.064 328 H GLY 46 H GLY 46 6.876 -9.056 0.480 329 1HA GLY 46 1HA GLY 46 5.215 -10.602 0.675 330 2HA GLY 46 2HA GLY 46 6.400 -11.703 1.427 331 H THR 47 H THR 47 4.900 -8.575 2.092 332 HA THR 47 HA THR 47 3.814 -9.414 4.591 333 HB THR 47 HB THR 47 5.954 -7.236 4.352 334 HG1 THR 47 HG1 THR 47 6.874 -9.202 4.519 335 1HG2 THR 47 1HG2 THR 47 4.474 -8.247 6.866 336 2HG2 THR 47 2HG2 THR 47 5.726 -7.014 6.850 337 3HG2 THR 47 3HG2 THR 47 4.159 -6.683 6.131 338 H PHE 48 H PHE 48 1.864 -8.731 4.452 339 HA PHE 48 HA PHE 48 0.861 -6.757 2.666 340 1HB PHE 48 1HB PHE 48 -0.552 -8.559 3.382 341 2HB PHE 48 2HB PHE 48 -0.274 -8.210 5.074 342 HD1 PHE 48 HD1 PHE 48 -1.303 -6.287 6.137 343 HD2 PHE 48 HD2 PHE 48 -2.274 -7.277 2.103 344 HE1 PHE 48 HE1 PHE 48 -3.292 -4.866 6.275 345 HE2 PHE 48 HE2 PHE 48 -4.265 -5.852 2.251 346 HZ PHE 48 HZ PHE 48 -4.769 -4.648 4.347 347 H VAL 49 H VAL 49 0.464 -4.684 2.845 348 HA VAL 49 HA VAL 49 1.348 -3.265 5.319 349 HB VAL 49 HB VAL 49 0.991 -2.214 2.476 350 1HG1 VAL 49 1HG1 VAL 49 2.215 -0.888 4.943 351 2HG1 VAL 49 2HG1 VAL 49 2.193 -0.208 3.325 352 3HG1 VAL 49 3HG1 VAL 49 0.692 -0.426 4.202 353 1HG2 VAL 49 1HG2 VAL 49 3.479 -2.921 4.089 354 2HG2 VAL 49 2HG2 VAL 49 2.853 -3.831 2.723 355 3HG2 VAL 49 3HG2 VAL 49 3.485 -2.215 2.485 356 H CYS 50 H CYS 50 -1.218 -2.695 2.800 357 HA CYS 50 HA CYS 50 -3.122 -2.233 5.030 358 1HB CYS 50 1HB CYS 50 -3.497 0.000 4.665 359 2HB CYS 50 2HB CYS 50 -1.866 -0.015 4.056 360 H GLU 51 H GLU 51 -5.297 -1.644 4.086 361 HA GLU 51 HA GLU 51 -5.795 -3.022 1.501 362 1HB GLU 51 1HB GLU 51 -6.407 -4.758 3.015 363 2HB GLU 51 2HB GLU 51 -6.961 -3.640 4.245 364 1HG GLU 51 1HG GLU 51 -9.033 -3.209 2.970 365 2HG GLU 51 2HG GLU 51 -8.441 -4.154 1.617 366 H GLY 52 H GLY 52 -6.136 -1.162 0.480 367 1HA GLY 52 1HA GLY 52 -7.311 0.675 -0.310 368 2HA GLY 52 2HA GLY 52 -8.650 0.128 0.702 369 H GLU 53 H GLU 53 -9.194 2.233 1.256 370 HA GLU 53 HA GLU 53 -7.737 3.310 3.554 371 1HB GLU 53 1HB GLU 53 -7.298 5.512 2.634 372 2HB GLU 53 2HB GLU 53 -6.608 4.358 1.512 373 1HG GLU 53 1HG GLU 53 -8.780 4.529 0.175 374 2HG GLU 53 2HG GLU 53 -9.234 5.870 1.200 375 H SER 54 H SER 54 -10.424 3.565 1.263 376 HA SER 54 HA SER 54 -12.151 4.493 3.534 377 1HB SER 54 1HB SER 54 -12.183 5.593 0.658 378 2HB SER 54 2HB SER 54 -13.317 6.041 1.936 379 HG SER 54 HG SER 54 -11.252 6.397 3.186
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